3-Methyl-2-[pyridine-3-carbonyl]-amino-butyric acid methyl ester

HCID 67325527
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Basic information

Standard SMILES
COC(=O)C(N)(C(=O)c1cccnc1)C(C)C
InChIKey
DYPLDNCHUAMSKL-UHFFFAOYSA-N
Molecular formula
C12H16N2O3
Average molar mass
236.27 g/mol

Names & identifiers

Preferred name
3-Methyl-2-[pyridine-3-carbonyl]-amino-butyric acid methyl ester
IUPAC
methyl 2-amino-3-methyl-2-(pyridine-3-carbonyl)butanoate

Names & synonyms

SCHEMBL2227920DYPLDNCHUAMSKL-UHFFFAOYSA-N3-methyl-2-[pyridine-3-carbonyl]-amino-butyric acid methyl ester

Database identifiers

PubChem CID
67325527

Properties

Computed structural properties

XLogP
0.9
Topological polar surface area
82.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
5
Heavy atoms
17

Related reactions

2 records
New reaction record

Compound notes

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