(1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid
Basic information
- CAS
151907-79-8- Standard SMILES
CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](C(=O)O)C1- InChIKey
WOUNTSATDZJBLP-SFYZADRCSA-N- Molecular formula
- C11H17NO4
- Average molar mass
- 227.26 g/mol
- Monoisotopic mass
- 227.11575802
Names & identifiers
- Preferred name
- (1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acid
- IUPAC
- (1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid
- English name
- (-)-(1S,4R)-N-Boc-4-aminocyclopent-2-enecarboxylic acid
- Molecular formula
- C11H17NO4
- Molecular weight
- 227.26
Names & synonyms
(1S,4R)-(-)-4-(Boc-amino)-2-cyclopentene-1-carboxylic acidRefChem:394155634-898-6151907-79-8(1S,4R)-4-((tert-Butoxycarbonyl)amino)cyclopent-2-enecarboxylic acid(-)-(1S,4R)-N-BOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACIDMFCD00211287(1S,4R)-4-(tert-butoxycarbonylamino)cyclopent-2-enecarboxylic acid(1S,4R)-4-((tert-butoxycarbonyl)amino)cyclopent-2-ene-1-carboxylic acid(1s,4r)-4-{[(tert-butoxy)carbonyl]amino}cyclopent-2-ene-1-carboxylic acid(1S,4R)-4-(tert-butoxycarbonylamino)cyclopent-2-ene-1-carboxylic acid(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-ene-1-carboxylic acid
Show more names
Boc-D-AcPEC(-)-(1S,4R)-N-Boc-g-homocycloleu-2-ene(-)-(1S,4R)-N-BOC-GAMMA-HOMOCYCLOLEU-2-ENE(1S,4R)-Boc-4-aminocyclopent-2-ene-carboxylic acid(1S,4R)-4-(Boc-amino)-2-cyclopentenecarboxylic Acid(-)-(1S,4R)-N-BOC-4-AMINOCYCLOPENT-2-ENECARBOXYLIC ACI(1S,4R)-N-Boc-4-aminocyclopent-2-ene-1-carboxylic acidCis-(1S,4R)-4-Boc-aMino-2-Cyclopentene-1-carboxylic acid
(1S,4R)-4-(BOC-AMINO)CYCLOPENT-2-ENECARBOXYLIC ACID(1S,4R)-4-Boc-aminocyclopent-2-enecarboxylic acid(1R,4S)-N-Boc-1-aminocyclopent-2-ene-4-carboxylic acidWOUNTSATDZJBLP-SFYZADRCSA-NSCHEMBL605147(1R,4S)-N-Boc-1-Aminocyclopent-2-ene-4-carboxylicacid(e.e.)SBB067845AKOS015841319
Database identifiers
- CAS
151907-79-8- PubChem CID
- 7019283
- EC Number
- 634-898-6
- Nikkaji
- J2.654.330D
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
- 152.9 °C · 152.9 °C
- Boiling point
- 368.97 °C · 368.97°C (rough estimate)
- Density
- 1.1781 · 1.1781 (rough estimate)
- refractive index
- 1.5718 · 1.5718 (estimate)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- 4.31 · 4.31±0.40(Predicted)
- Appearance
- White to off-white Solid
- optical activity
- 20 · [α]20/D -48,5±2°, c =1% in methanol
- Major Application
- peptide synthesis
- 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+/m1/s1
- InChIKey
- WOUNTSATDZJBLP-SFYZADRCSA-N
- SMILES
- [C@H]1(C(O)=O)C[C@@H](NC(OC(C)(C)C)=O)C=C1
- UNSPSC Code
- 12352106 · 12352106
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/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.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 10-23
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- 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
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
Chemistry & industry
Applications
Usespeptide synthesis
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
1 records
Compound notes
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