Z-trans-4-Hydroxy-L-prolinol

C13H17NO4CAS 95687-41-5251.28 g/mol

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NHOOOOH
AlcoholCarbamate

Properties

Molecular formula
C13H17NO4
Molar mass
251.28 g/mol
Exact mass
251.1158 Da
logP
0.75Crippen estimate
Polar surface area
70.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3
Stereocentres
R, 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
95687-41-5
SMILES
C1[C@H](CN([C@@H]1CO)C(=O)OCC2=CC=CC=C2)O
InChIKey
WDEQGLDWZMIMJM-NWDGAFQWSA-N
InChI
InChI=1S/C13H17NO4/c15-8-11-6-12(16)7-14(11)13(17)18-9-10-4-2-1-3-5-10/h1-5,11-12,15-16H,6-9H2/t11-,12+/m0/s1

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Names and synonyms

1 name
  • Benzyl (2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate

Work with Z-trans-4-Hydroxy-L-prolinol

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

1-(Phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate13504-85-365 % similar (2S,4S)-1-((Benzyloxy)carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid13504-86-465 % similar Cbz-L-prolinol6216-63-363 % similar cis-Zhprome57653-35-762 % similar 2-Methyl 1-(phenylmethyl) (2S,4R)-4-hydroxy-1,2-pyrrolidinedicarboxylate64187-48-062 % similar Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-660 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-155 % similar 3-Hydroxy-1-N-cbz-pyrrolidine95656-88-555 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Ethylpyridine-2,3-dicarboxylic acid diethyl ester105151-39-1 Benzyloxycarbonyl-L-valine1149-26-4 Boc-3-aminomethylbenzoic acid117445-22-4 Dipropyl isocinchomeronate136-45-8 Cbz-D-valine1685-33-2 N-((Phenylmethoxy)carbonyl)norvaline21691-43-0 (S)-2-(((Benzyloxy)carbonyl)amino)pentanoic acid21691-44-1 5-(Carbobenzoxyamino)valeric acid23135-50-4

Elsewhere

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