4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid

C13H18N2O4 — CID 60827419

IUPAC4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-9(2)15(8-4-6-11(16)17)13(19)10-5-3-7-14-12(10)18/h3,5,7,9H,4,6,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMXLYVTWVOVQAJH-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.09
Rot. Bonds6

About 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid

4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 60827419) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID60827419
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCC(C)N(CCCC(=O)O)C(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-9(2)15(8-4-6-11(16)17)13(19)10-5-3-7-14-12(10)18/h3,5,7,9H,4,6,8H2,1-2H3,(H,14,18)(H,16,17)
InChIKeyMXLYVTWVOVQAJH-UHFFFAOYSA-N
XLogP1.09
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(Cycloheptylcarbamoyl)-2-oxo-1-pyridinyl]butanoic acid
CID 76325028
4-[methyl-[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43359992
3-methyl-2-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
CID 20132031
(2S)-3-methyl-2-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
CID 54111946
3-[(1-acetyl-2H-pyridine-3-carbonyl)amino]propanoic acid
CID 141166714
4-[(1-methyl-2H-pyridine-3-carbonyl)amino]butanoic acid
CID 10421179
1-(2-oxo-1H-pyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 24694198
4-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 24695285
3-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 24700957
4-amino-4-oxo-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 24708027
(2R)-3-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 28195536
(2S)-3-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 28195538

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid (CID 60827419) is 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid is CC(C)N(CCCC(=O)O)C(=O)c1ccc[nH]c1=O.
What is the InChIKey of 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is MXLYVTWVOVQAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9(2)15(8-4-6-11(16)17)13(19)10-5-3-7-14-12(10)18/h3,5,7,9H,4,6,8H2,1-2H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60827419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).