(2S)-1-Acetamido-3-chloropropan-2-yl acetate

C₇H₁₂ClNO₃CAS 183905-31-9193.63 g/mol

Open in Covalent MOL file

Alkyl halide Amide Ester

Properties

Molecular formula: C₇H₁₂ClNO₃
Molar mass: 193.63 g/mol
Exact mass: 193.0506 Da
logP: 0.29Crippen estimate
Polar surface area: 55.4 Å²
H-bond donors / acceptors: 1 / 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

183905-31-9

SMILES

CC(=O)NC[C@@H](CCl)OC(=O)C

InChIKey

GOJJPJCUSDMTAT-SSDOTTSWSA-N

InChI

InChI=1S/C7H12ClNO3/c1-5(10)9-4-7(3-8)12-6(2)11/h7H,3-4H2,1-2H3,(H,9,10)/t7-/m1/s1

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Names and synonyms

1 names

Acetamide, N-[(2S)-2-(acetyloxy)-3-chloropropyl]-

Work with (2S)-1-Acetamido-3-chloropropan-2-yl acetate

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

[(1-3 Dichlopropan-2-yl)oxy]methyl acetate89281-73-245 % similar Triacetin102-76-142 % similar Cyclohexyl acetate622-45-742 % similar 4-tert-Butylcyclohexyl acetate32210-23-440 % similar Isopropyl acetate108-21-434 % similar 2,3-Diacetoxybutane1114-92-734 % similar sec-Butyl acetate105-46-433 % similar D-Galactosamine pentaacetate76375-60-533 % similar

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

Same formula

N-(2-Chloroacetyl)-L-valine2279-16-5 N-(2-Chloroacetyl)valine4090-17-9 Methyl 4-oxopiperidine-3-carboxylate hydrochloride71486-53-8

Elsewhere

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