3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid

C15H14N2O4 — CID 107272339

IUPAC3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H14N2O4/c18-13(19)8-7-10-4-1-2-6-12(10)17-15(21)11-5-3-9-16-14(11)20/h1-6,9H,7-8H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyYLMQHLHDZIQGRK-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.64
Rot. Bonds5

About 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid

3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid (PubChem CID 107272339) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
PubChem CID107272339
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C15H14N2O4/c18-13(19)8-7-10-4-1-2-6-12(10)17-15(21)11-5-3-9-16-14(11)20/h1-6,9H,7-8H2,(H,16,20)(H,17,21)(H,18,19)
InChIKeyYLMQHLHDZIQGRK-UHFFFAOYSA-N
XLogP1.64
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenoxy]acetic acid
CID 63746870
N-(2-bromophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 43111877
3-[2-[(3-hydroxypyridine-4-carbonyl)amino]phenyl]propanoic acid
CID 107272392
3-[2-(pyridine-4-carbonylamino)phenyl]propanoic acid
CID 107272370
2-[2-[(2-iodobenzoyl)amino]phenyl]acetic acid
CID 62535711
2-chloro-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]benzoic acid
CID 63724282
N-[2-(3-aminoprop-1-ynyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 60803050
2-oxo-N-(2-propan-2-yloxyphenyl)-1H-pyridine-3-carboxamide
CID 110692726
4-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]-1,3-thiazol-4-yl]butanoic acid
CID 80655774
3-[2-[(2-methylpyrazole-3-carbonyl)amino]phenyl]propanoic acid
CID 107272535
3-[2-(pyridine-3-carbonylamino)phenyl]propanoic acid
CID 107272327
3-[2-[(5-iodothiophene-3-carbonyl)amino]phenyl]propanoic acid
CID 107272419

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
The IUPAC name of 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid (CID 107272339) is 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
The canonical SMILES for 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid is O=C(O)CCc1ccccc1NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
The InChIKey is YLMQHLHDZIQGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-13(19)8-7-10-4-1-2-6-12(10)17-15(21)11-5-3-9-16-14(11)20/h1-6,9H,7-8H2,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid?
3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid has a molecular weight of 286.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-oxo-1H-pyridine-3-carbonyl)amino]phenyl]propanoic acid is sourced from PubChem (CID 107272339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).