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
- Formal charge
- 0
- Complexity
- 296
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
- WGK Germany
- 3 · 3
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]
武汉福鑫化工有限公司+86-2759207851; +86-18007136271 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418684 +86-18949823763 · [email protected]
Related reactions
11 records
Linked notes
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