1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
Properties
- Molecular formula
- C13H15NO5
- Molar mass
- 265.26 g/mol
- Exact mass
- 265.0950 Da
- logP
- 0.84Crippen estimate
- Polar surface area
- 87.1 Ų
- H-bond donors / acceptors
- 2 / 4
- Rotatable bonds
- 3
- Stereocentres
- S, Rin SMILES atom order
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
13504-85-3SMILES
O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCc1ccccc1InChIKey
WWVCWLBEARZMAH-MNOVXSKESA-NInChI
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/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S,4R)-
- 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-benzyl ester, L-trans-
- 1,2-Pyrrolidinedicarboxylic acid, 4-hydroxy-, 1-(phenylmethyl) ester, (2S-trans)-
- 1-(Benzyloxycarbonyl)-4-hydroxy-L-proline
- N-Carbobenzoxy-4-hydroxy-L-proline
- N-(Benzyloxycarbonyl)-trans-4-hydroxy-L-proline
- 1-(Benzyloxycarbonyl)-trans-4-hydroxy-(S)-proline
- trans-N-(Benzyloxycarbonyl)-4-hydroxy-L-proline
- 4-(R)-Hydroxy-1-(phenylmethoxycarbonyl)-L-proline
- (2S,4R)-4-Hydroxypyrrolidine-1,2-dicarboxylic acid 1-benzyl ester
- (2S,4R)-1-[(Benzyloxy)carbonyl]-4-hydroxy-2-pyrrolidinecarboxylic acid
- (2S,4R)-1-(Benzyloxycarbonyl)-4-hydroxyproline
- (2S,4R)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic Acid
Work with 1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
cis-Zhprome57653-35-770 % similar
2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-070 % similar
(2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-866 % similar
Fmoc-L-hydroxyproline88050-17-365 % similar
Z-trans-4-Hydroxy-L-prolinol95687-41-565 % similar
Benzyloxycarbonyl-L-proline1148-11-463 % similar
N-(Benzyloxycarbonyl)-D-proline6404-31-563 % similar
1-Cbz-2-piperidinecarboxylic acid28697-07-662 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.