2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid

C12H16N2O4 — CID 65219302

IUPAC2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-4-8(12(17)18)7-14-11(16)9-5-3-6-13-10(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeySCSBDGSCFQFRTQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.61
Rot. Bonds6

About 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid

2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid (PubChem CID 65219302) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
PubChem CID65219302
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
SMILESCCCC(CNC(=O)c1ccc[nH]c1=O)C(=O)O
InChIInChI=1S/C12H16N2O4/c1-2-4-8(12(17)18)7-14-11(16)9-5-3-6-13-10(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeySCSBDGSCFQFRTQ-UHFFFAOYSA-N
XLogP0.61
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid (CID 65219302) is 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid is CCCC(CNC(=O)c1ccc[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid?
The InChIKey is SCSBDGSCFQFRTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-2-4-8(12(17)18)7-14-11(16)9-5-3-6-13-10(9)15/h3,5-6,8H,2,4,7H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid?
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid has a molecular weight of 252.27 g/mol, XLogP of 0.61, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 65219302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).