Methyl 2-acetylamino-3-(4-amino-3-chloro-5-methyl-phenyl)-propionate

HCID 69196550
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Basic information

Standard SMILES
COC(=O)C(Cc1cc(C)c(N)c(Cl)c1)NC(C)=O
InChIKey
MWKDIGIMHKTYFQ-UHFFFAOYSA-N
Molecular formula
C13H17ClN2O3
Average molar mass
284.74 g/mol
Monoisotopic mass
284.0927701

Names & identifiers

Preferred name
Methyl 2-acetylamino-3-(4-amino-3-chloro-5-methyl-phenyl)-propionate
IUPAC
methyl 2-acetamido-3-(4-amino-3-chloro-5-methylphenyl)propanoate

Names & synonyms

SCHEMBL4800958MWKDIGIMHKTYFQ-UHFFFAOYSA-Nmethyl 2-acetylamino-3-(4-amino-3-chloro-5-methyl-phenyl)-propionate

Database identifiers

PubChem CID
69196550

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
81.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19

Related reactions

2 records
New reaction record

Compound notes

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