Basic information
- CAS
13504-85-3- Standard SMILES
O=C(O)C1CC(O)CN1C(=O)OCc1ccccc1- InChIKey
WWVCWLBEARZMAH-UHFFFAOYSA-N- Molecular formula
- C13H15NO5
- Average molar mass
- 265.26 g/mol
- Monoisotopic mass
- 265.09502258
Overview
See other relationships...
Names & identifiers
- Preferred name
- 1-[(Benzyloxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acid
- IUPAC
- 4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
- English name
- N-Cbz-Hydroxy-L-proline
- Molecular formula
- C13H15NO5
- Molecular weight
- 265.26
Names & synonyms
91958-67-71-[(benzyloxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acidCbz-L-Hyp-OHN-Cbz-Hydroxy-L-proline1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid1-[(Benzyloxy)carbonyl]-4-hydroxyproline4-Hydroxy-Pyrrolidine-1,2-Dicarboxylic Acid 1-Benzyl Ester4-hydroxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid(2R,4S)-N-alpha-CARBOBENZOXY-4-HYDROXYPYRROLIDINE-2-CARBOXYLIC ACIDCbz-L-hydroxyproline1-benzyloxycarbonyl-4-hydroxy-pyrrolidine-2-carboxylic acidNSC690765
Show more names
Z-HYP-OHCBZ-HYP-OH(2S,4R)-1-((benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acidZ-HypN-Cbz-Hydroxy-L-prol1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylateCbz-HypZ-L-HYP-OH
1-((Benzyloxy)carbonyl)-4-hydroxyprolinetrans-1-[(benzyloxy)carbonyl]-4-hydroxypyrrolidine-2-carboxylic acidN-Cbz-4-cis-Hydroxy-L-proline1-(Benzyloxycarbonyl)-4-hydroxypyrrolidine-2-carboxylic acid4-hydroxy-1-[benzyloxycarbonyl]pyrrolidine-2-carboxylic acidN-Carbobenzoxy-allo-4-hydroxyprolineAB05440trans-N-Carbobenzoxy-4-hydroxy-L-proline
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Melting point
- 104 · 104-107 °C
- Boiling point
- 486.9 · 486.9±45.0 °C(Predicted)
- Density
- 1.416 · 1.416±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- solubility
- Dichloromethane, Ethyl Acetate
- form
- Oil
- pka
- 3.78 · 3.78±0.40(Predicted)
- color
- White to off-white
- optical activity
- 20 · [α]20/D 54±1°, c = 2% in ethanol
- Water Solubility
- Slightly soluble in water.
- BRN
- 90295 · 90295
- Major Application
- peptide synthesis
- InChI
- 1S/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)/t10-,11+/m1/s1
- InChIKey
- WWVCWLBEARZMAH-MNOVXSKESA-N
- SMILES
- O[C@@H]1C[C@H](N(C1)C(=O)OCc2ccccc2)C(O)=O
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29339900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Applications
UsesA competitive inhibitor of porcine kidney prolidase.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
26 records
Compound notes
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