(2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C₁₃H₁₅NO₅CAS 13504-86-4265.26 g/mol

Open in Covalent MOL file

Alcohol Carbamate Carboxylic acid

Properties

Molecular formula: C₁₃H₁₅NO₅
Molar mass: 265.26 g/mol
Exact mass: 265.0950 Da
logP: 0.84Crippen estimate
Polar surface area: 87.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3
Stereocentres: S, Sin SMILES atom order

Identifiers

CAS number

13504-86-4

SMILES

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)OCC2=CC=CC=C2)O

InChIKey

WWVCWLBEARZMAH-QWRGUYRKSA-N

InChI

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-/m0/s1

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Names and synonyms

1 names

Z-cis-Hyp-oh

Work with (2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-070 % similar (2S)-1-(Benzyloxycarbonyl)azetidine-2-carboxylic acid25654-52-866 % similar Benzyloxycarbonyl-L-proline1148-11-463 % similar N-(Benzyloxycarbonyl)-D-proline6404-31-563 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-659 % similar 1-Benzyloxycarbonylazetidine-3-carboxylic acid97628-92-758 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-056 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-3

Elsewhere

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