1-(1,1-Dimethylethyl) (2S)-4-hydroxy-1,2-pyrrolidinedicarboxylate

HCID 11138980CAS 331442-12-7

Basic information

Standard SMILES
CC(C)(C)OC(=O)N1CC(O)C[C@H]1C(=O)O
InChIKey
BENKAPCDIOILGV-MLWJPKLSSA-N
Molecular formula
C10H17NO5
Average molar mass
231.25 g/mol
Monoisotopic mass
231.11067264

Names & identifiers

Preferred name
1-(1,1-Dimethylethyl) (2S)-4-hydroxy-1,2-pyrrolidinedicarboxylate
IUPAC
(2S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
English name
BOC-HYP-OH
Molecular formula
C10H17NO5
Molecular weight
231.25

Names & synonyms

331442-12-71-(1,1-Dimethylethyl) (2S)-4-hydroxy-1,2-pyrrolidinedicarboxylateRefChem:222231Boc-L-4-hydroxyproline(2S)-1-(tert-butoxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid(2S)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidtrans-N-Boc-4-hydroxy-L-proline(2S)-1-[(tert-butoxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acidBOC-4-hydroxyprolineN-Boc-4-hydroxyprolineN-boc-4-hydroxy-L-prolinel-N-boc-4-hydroxyl-proline
Show more names
Boc-Hyp-0HBOC-L-HYP-OHBOC-TRANS-HYP-OHBOC-HYDROXYPROLINERARECHEM EM WB 0136N-BOC-L-4-HYDROXYPROLINEBOC-L-T-4-HYDROXYPROLINEBOC-L-TRANS-4-HYDROXYPROLINE
SCHEMBL312687DTXSID801167683N-t-butoxycarbonyl-4-hydroxyproline1-(tert-Butoxycarbonyl)-4-hydroxy-L-proline1-(tert-Butoxycarbonyl)-4-hydroxyproline #CS-0378167trans-N-tert-Butoxycarbonyl-4-hydroxy-l-proline

Database identifiers

CAS
331442-12-7
PubChem CID
11138980
DTXSID
DTXSID801167683
Nikkaji
J415.456H

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
87.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
123 · 123-127 °C(lit.)
Boiling point
390.9 · 390.9±42.0 °C(Predicted)
Density
1.312 · 1.312±0.06 g/cm3(Predicted)
storage temp.
20 °C · −20°C
pka
3.8 · 3.80±0.40(Predicted)
Safety Statements
22 · 22-24/25

Safety & regulation

Safety data

wgk
3
safety_code
22-24/25

Chemistry & industry

Suppliers10 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海赢瑞生物医药科技有限公司21-33585366 13311639313 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]

Related reactions

11 records

Linked notes

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