2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid

C11H15N3O3 — CID 44993995

IUPAC2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
SMILESCN(C)C(CC(=O)Nc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-14(2)9(11(16)17)6-10(15)13-8-4-3-5-12-7-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFXCAGNPMZOQOGE-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.43
Rot. Bonds5

About 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid

2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid (PubChem CID 44993995) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid.

Molecular Properties

Compound Name2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
PubChem CID44993995
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid
SMILESCN(C)C(CC(=O)Nc1cccnc1)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-14(2)9(11(16)17)6-10(15)13-8-4-3-5-12-7-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyFXCAGNPMZOQOGE-UHFFFAOYSA-N
XLogP0.43
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-methyl-5-oxo-5-(pyridin-3-ylamino)pentanoic acid
CID 7316708
(2S)-4-oxo-2-phenyl-4-(pyridin-3-ylamino)butanoic acid
CID 851940
3-methyl-N-pyridin-3-ylpentanamide
CID 142960765
(2R)-4-(3-acetylanilino)-2-(dimethylamino)-4-oxobutanoic acid
CID 2140649
4-oxo-2-(propylamino)-4-(pyridin-3-ylamino)butanoic acid
CID 6852100
4-amino-3-methyl-N-pyridin-3-ylbutanamide
CID 81070233
3-methyl-N-pyridin-3-ylpentanamide;molecular hydrogen
CID 166133137
(2R)-2-(dimethylamino)-4-(2,6-dimethylanilino)-4-oxobutanoic acid
CID 748979
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
3-(2-methylhydrazinyl)-3-oxo-N-pyridin-3-ylpropanamide
CID 129281433
4,4-diphenyl-N-pyridin-3-ylbutanamide
CID 11976417
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The IUPAC name of 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid (CID 44993995) is 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid.
What is the SMILES notation for 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The canonical SMILES for 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is CN(C)C(CC(=O)Nc1cccnc1)C(=O)O.
What is the InChIKey of 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
The InChIKey is FXCAGNPMZOQOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-14(2)9(11(16)17)6-10(15)13-8-4-3-5-12-7-8/h3-5,7,9H,6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid?
2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-oxo-4-(pyridin-3-ylamino)butanoic acid is sourced from PubChem (CID 44993995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).