2-Chloropropionylglycine

C₅H₈ClNO₃CAS 85038-45-5165.57 g/mol

Open in Covalent MOL file

Alkyl halide Amide Carboxylic acid

Properties

Molecular formula: C₅H₈ClNO₃
Molar mass: 165.57 g/mol
Exact mass: 165.0193 Da
logP: -0.19Crippen estimate
Polar surface area: 66.4 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 3

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

85038-45-5

SMILES

CC(C(=O)NCC(=O)O)Cl

InChIKey

UBXUBYOEZMEUPZ-UHFFFAOYSA-N

InChI

InChI=1S/C5H8ClNO3/c1-3(6)5(10)7-2-4(8)9/h3H,2H2,1H3,(H,7,10)(H,8,9)

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Names and synonyms

1 names

N-(2-Chloropropanoyl)glycine

Work with 2-Chloropropionylglycine

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

N-Chloroacetylglycine6319-96-643 % similar Hydantoic acid462-60-242 % similar Epitalon307297-39-842 % similar (S)-2-(2-((tert-Butoxycarbonyl)amino)-4-methylpentanamido)acetic acid32991-17-642 % similar Sarcosine107-97-141 % similar (2S)-2-Chloropropanoic acid29617-66-141 % similar 2-Chloropropionic acid598-78-741 % similar (R)-(+)-2-Chloropropionic acid7474-05-741 % similar

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

Same formula

N-(2-Chloroacetyl)alanine1190-32-5

Elsewhere

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