3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C10H12N2O4 — CID 60989966

IUPAC3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O4/c1-12(5-4-9(14)15)10(16)7-2-3-8(13)11-6-7/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyZHSRNRCCXPAOID-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.08
Rot. Bonds4

About 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 60989966) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID60989966
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)c1ccc(=O)[nH]c1
InChIInChI=1S/C10H12N2O4/c1-12(5-4-9(14)15)10(16)7-2-3-8(13)11-6-7/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15)
InChIKeyZHSRNRCCXPAOID-UHFFFAOYSA-N
XLogP-0.08
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Aminocarbonyl)-6-hydroxy-4-methyl-2-oxo-1(2H)-pyridinepropanoic acid
CID 19760150
6-Hydroxy-n,n-diethylnicotinamide
CID 9899087
methyl 3-[(6-oxo-1H-pyridine-3-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 60795135
N-ethyl-6-oxo-1H-pyridine-3-carboxamide
CID 13429623
N-ethyl-1-methyl-6-oxopyridine-3-carboxamide
CID 13429624
4-[(6-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 24699948
3-[(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
CID 24700063
6-oxo-N-propyl-1H-pyridine-3-carboxamide
CID 28826330
N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43417829
N,1-diethyl-2-hydroxy-6-oxopyridine-3-carboxamide
CID 53840947
3-[5-(Methylcarbamoyl)-2-oxo-1-pyridinyl]propanoic acid
CID 57861621
Ethyl 3-[2-oxo-5-(propan-2-ylcarbamoyl)-1-pyridinyl]propanoate
CID 57861891

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 60989966) is 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is CN(CCC(=O)O)C(=O)c1ccc(=O)[nH]c1.
What is the InChIKey of 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is ZHSRNRCCXPAOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-12(5-4-9(14)15)10(16)7-2-3-8(13)11-6-7/h2-3,6H,4-5H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 224.22 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(6-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60989966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).