(S)-1-Cbz-3-hydroxymethylpyrrolidine

C₁₃H₁₇NO₃CAS 124391-76-0235.28 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₃H₁₇NO₃
Molar mass: 235.28 g/mol
Exact mass: 235.1208 Da
logP: 1.64Crippen estimate
Polar surface area: 49.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

124391-76-0

SMILES

C1CN(C[C@H]1CO)C(=O)OCC2=CC=CC=C2

InChIKey

ZRMWRJLLAVAFQP-LBPRGKRZSA-N

InChI

InChI=1S/C13H17NO3/c15-9-12-6-7-14(8-12)13(16)17-10-11-4-2-1-3-5-11/h1-5,12,15H,6-10H2/t12-/m0/s1

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Names and synonyms

1 names

Benzyl (3S)-3-(hydroxymethyl)pyrrolidine-1-carboxylate

Work with (S)-1-Cbz-3-hydroxymethylpyrrolidine

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

Phenylmethyl 3-(hydroxymethyl)-1-piperidinecarboxylate39945-51-286 % similar Benzyl 4-(hydroxymethyl)piperidine-1-carboxylate122860-33-785 % similar (R)-(-)-1-CBZ-3-pyrrolidinol100858-33-168 % similar (S)-1-Cbz-3-aminopyrrolidine122536-72-564 % similar Phenylmethyl (3R)-3-amino-1-pyrrolidinecarboxylate122536-73-664 % similar N-Benzyloxycarbonyl-4-bromomethylpiperidine159275-17-964 % similar Phenylmethyl 3-amino-1-pyrrolidinecarboxylate185057-50-564 % similar Phenylmethyl 3-(aminomethyl)-1-piperidinecarboxylate315717-76-163 % similar

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

Same formula

4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-5 N-Benzoyl-dl-leucine17966-67-5 Eutylone802855-66-9 N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-5

Elsewhere

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