chempirical

Z-trans-4-Hydroxy-L-prolinol

C13H17NO4CAS 95687-41-5251.28 g/mol

Open in Covalent MOL file
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. Search the SDS library

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

Weigh it out

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Names and synonyms

1 names
  • 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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