2,3-Dimethyl-2-[2-[methyl[1-(4-pyridinyl)ethyl]amino]-2-oxoethyl]butanoic acid

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Basic information

CAS: 1178830-07-3
Standard SMILES: CC(c1ccncc1)N(C)C(=O)CC(C)(C(=O)O)C(C)C
InChIKey: BJYPQHQRHFHQJC-UHFFFAOYSA-N
Molecular formula: C16H24N2O3
Average molar mass: 292.37 g/mol
Monoisotopic mass: 292.17869263

Names & identifiers

Preferred name: 2,3-Dimethyl-2-[2-[methyl[1-(4-pyridinyl)ethyl]amino]-2-oxoethyl]butanoic acid
IUPAC: 2-methyl-4-[methyl(1-pyridin-4-ylethyl)amino]-4-oxo-2-propan-2-ylbutanoic acid

Names & synonyms

DTXSID3011379042,3-Dimethyl-2-[2-[methyl[1-(4-pyridinyl)ethyl]amino]-2-oxoethyl]butanoic acid2-Methyl-4-{methyl[1-(pyridin-4-yl)ethyl]amino}-4-oxo-2-(propan-2-yl)butanoic acid1178830-07-3

Database identifiers

CAS: 1178830-07-3
PubChem CID: 60950477
DTXSID: DTXSID301137904

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 70.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 21
Formal charge: 0
Complexity: 378

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Compound notes

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