chempirical

Benzyl (2S)-2-hydroxypropanoate

C10H12O3CAS 56777-24-3180.20 g/mol

Open in Covalent MOL file
OOHO
AlcoholEster

Properties

Molecular formula
C10H12O3
Molar mass
180.20 g/mol
Exact mass
180.0786 Da
logP
1.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3
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
56777-24-3
SMILES
C[C@@H](C(=O)OCC1=CC=CC=C1)O
InChIKey
ZYTLPUIDJRKAAM-QMMMGPOBSA-N
InChI
InChI=1S/C10H12O3/c1-8(11)10(12)13-7-9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-/m0/s1

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Names and synonyms

1 names
  • Benzyl L-lactate

Work with Benzyl (2S)-2-hydroxypropanoate

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

Benzyl isobutyrate103-28-668 % similar L-Tartaric acid dibenzyl ester622-00-468 % similar Benzyl (2S)-hydroxy(phenyl)acetate62173-99-362 % similar Benzyl 3-hydroxycyclobutane-1-carboxylate480449-99-861 % similar L-Threonine benzyl ester hydrochloride33645-24-858 % similar D-Threonine benzyl ester hydrochloride75748-36-658 % similar Alanine benzyl ester hydrochloride5557-83-557 % similar N-[(Phenylmethoxy)carbonyl]-L-threonine phenylmethyl ester16597-50-556 % similar

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

Same formula

(R)-(+)-2-Benzyloxypropionic acid100836-85-9 Anisyl acetate104-21-2 3-(3-Methoxyphenyl)propionic acid10516-71-9 (-)-Ethyl mandelate10606-72-1 3-Ethoxy-4-methoxybenzaldehyde1131-52-8 3,4-Dimethoxyacetophenone1131-62-0 2',5'-Dimethoxyacetophenone1201-38-3 4-Ethoxy-3-methoxybenzaldehyde120-25-2

Elsewhere

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