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

C13H15NO5CAS 13504-86-4265.26 g/mol

Open in Covalent MOL file
NOOHOOOH
AlcoholCarbamateCarboxylic 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 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

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.

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

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.

All similar compounds

Elsewhere

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