N-Benzyloxycarbonyl-D-alaninol

C11H15NO3CAS 61425-27-2209.25 g/mol

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HONHOO
AlcoholCarbamate

Properties

Molecular formula
C11H15NO3
Molar mass
209.25 g/mol
Exact mass
209.1052 Da
logP
1.29Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4
Stereocentres
Rin 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
61425-27-2
SMILES
C[C@H](CO)NC(=O)OCC1=CC=CC=C1
InChIKey
AFPHMHSLDRPUSM-SECBINFHSA-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-/m1/s1

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Names and synonyms

1 names
  • Benzyl ((2R)-1-hydroxypropan-2-yl)carbamate

Work with N-Benzyloxycarbonyl-D-alaninol

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.

Benzyl N-((2S)-1-hydroxypropan-2-yl)carbamate66674-16-6Enantiomer

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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