Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate

C₁₁H₁₅NO₃CAS 66674-16-6209.25 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₁₁H₁₅NO₃
Molar mass: 209.25 g/mol
Exact mass: 209.1052 Da
logP: 1.29Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4
Stereocentres: 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

66674-16-6

SMILES

C[C@@H](CO)NC(=O)OCC1=CC=CC=C1

InChIKey

AFPHMHSLDRPUSM-VIFPVBQESA-N

InChI

InChI=1S/C11H15NO3/c1-9(7-13)12-11(14)15-8-10-5-3-2-4-6-10/h2-6,9,13H,7-8H2,1H3,(H,12,14)/t9-/m0/s1

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Names and synonyms

1 names

Cbz-L-alaninol

Work with Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate

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.

N-Benzyloxycarbonyl-D-alaninol61425-27-2Enantiomer

Similar compounds

Cbz-D-phenylalaninol58917-85-468 % similar (S)-Cbz-phenylalaninol6372-14-168 % similar Benzyl N-((benzyloxy)carbonyl)-L-serinate21209-51-865 % similar N-Cbz-D-serine6081-61-464 % similar Fmoc-L-alaninol161529-13-162 % similar N-Cbz-D-alanine26607-51-261 % similar Cbz-D-valine1685-33-259 % similar 3-(Cbz-amino)-azetidine914348-04-259 % similar

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

Same formula

Propoxur114-26-1 Ethyl-4-acetyl-3,5-dimethylpyrrole-2-carboxylate2386-26-7 5-(Piperidin-1-ylmethyl)furan-2-carboxylic acid301353-36-6 Benzyl N-(3-hydroxypropyl)carbamate34637-22-4 (2S,3R)-2-Amino-3-(benzyloxy)butanoic acid4378-10-3 (4-Hydroxyphenyl)carbamic acid tert-butyl ester54840-15-2 (R)-4-Amino-3-(4-methoxyphenyl)butanoic acid740774-41-8

Elsewhere

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