Basic information
- CAS
151907-80-1- Standard SMILES
CC(C)(C)OC(=O)N[C@@H]1C=C[C@H](C(=O)O)C1- InChIKey
WOUNTSATDZJBLP-JGVFFNPUSA-N- Molecular formula
- C11H17NO4
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.11575802
Names & identifiers
- Preferred name
- (1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid
- IUPAC
- (1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid
- English name
- (+)-(1R,4S)-N-Boc-4-aminocyclopent-2-enecarboxylic acid
- Molecular formula
- C11H17NO4
- Molecular weight
- 227.26
Names & synonyms
151907-80-1(1R,4S)-(+)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acidRefChem:393485634-894-4(1R,4S)-4-((tert-Butoxycarbonyl)amino)cyclopent-2-enecarboxylic acid108999-93-5(1r,4s)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acidMFCD00211288(1R,4S)-Boc-4-aminocyclopent-2-ene-carboxylic acidcis-4-((tert-Butoxycarbonyl)amino)cyclopent-2-enecarboxylic acid(1R,4S)-4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylic acid(+)-(1R,4S)-N-BOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACID
Show more names
Boc-L-PECBOC-L-ACPECPeramivir impurities9(+)-(1R,4S)-Boc-g-Homocycloleu-2-ene(+)-(1R,4S)-N-Boc-g-homocycloleu-2-ene(+)-(1R,4S)-N-BOC-GAMMA-HOMOCYCLOLEU-2-ENE(1R,4S)-4-Boc-aMino-cyclopent-2-enecarboxylic acid(1R,4S)-4-(Boc-amino)-2-cyclopentenecarboxylic Acid(1S,4R)-N-BOC-1-Aminocyclopent-2-ene-4-carboxylicaci
(1R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid(1R,4S)-4-(tert-butoxycarbonylamino)cyclopent-2-ene-1-carboxylic acid(1R,4S)-4-[(tert-butoxycarbonyl)amino]cyclopent-2-ene-1-carboxylic acid(1R,4S)-4-((tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acidSCHEMBL605621(1R,4S)-4-(BOC-amino)cyclopent-2-enecarboxylic acidWOUNTSATDZJBLP-JGVFFNPUSA-N(1R,4S)-4-((tert-Butoxycarbonyl)amino)cyclopent-2-enecarboxylicacid
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 316
Physicochemical properties
- Melting point
- 152 °C · 152°C
- Boiling point
- 382.3 · 382.3±42.0 °C(Predicted)
- Density
- 1.18 · 1.18
- storage temp.
- 2 · 2-8°C
- pka
- 4.31 · 4.31±0.40(Predicted)
- form
- Crystalline Powder
- color
- Off-white
- optical activity
- 20 · [α]20/D +48.5±2°, c = 1% in methanol
- BRN
- 6177417 · 6177417
- InChI
- InChI=1S/C11H17NO4/c1-11(2,3)16-10(15)12-8-5-4-7(6-8)9(13)14/h4-5,7-8H,6H2,1-3H3,(H,12,15)(H,13,14)/t7-,8+/m0/s1
- InChIKey
- WOUNTSATDZJBLP-JGVFFNPUSA-N
- SMILES
- [C@@H]1(C(O)=O)C[C@H](NC(OC(C)(C)C)=O)C=C1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (100%)
Safety data
- F
- 10-23
- wgk
- 3
- hs_code
- 29223900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
上海康恩博医药科技有限公司17510465506 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
湖北威德利化学试剂有限公司181-6332-1995 18062128043 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Related reactions
5 records
Compound notes
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