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

C9H10N2O5 — CID 66167281

IUPAC2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc[nH]c1=O
InChIInChI=1S/C9H10N2O5/c12-6(9(15)16)4-11-8(14)5-2-1-3-10-7(5)13/h1-3,6,12H,4H2,(H,10,13)(H,11,14)(H,15,16)
InChIKeyGPFAOPWHGAWHIT-UHFFFAOYSA-N
MW226.19 g/mol
LogP-1.45
Rot. Bonds4

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

2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 66167281) has the molecular formula C9H10N2O5 and a molecular weight of 226.19 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID66167281
Molecular FormulaC9H10N2O5
Molecular Weight226.19 g/mol
Exact Mass226.06
IUPAC Name2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESO=C(NCC(O)C(=O)O)c1ccc[nH]c1=O
InChIInChI=1S/C9H10N2O5/c12-6(9(15)16)4-11-8(14)5-2-1-3-10-7(5)13/h1-3,6,12H,4H2,(H,10,13)(H,11,14)(H,15,16)
InChIKeyGPFAOPWHGAWHIT-UHFFFAOYSA-N
XLogP-1.45
TPSA119.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-1.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pentanoic acid
CID 65219302
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135
2-[(2-carboxy-2-hydroxyethyl)carbamoyl]benzoic acid
CID 151828721
N-[2-(dimethylamino)-3-phenylpropyl]-2-oxo-1H-pyridine-3-carboxamide
CID 51186413
2-hydroxy-3-(naphthalene-1-carbonylamino)propanoic acid
CID 66165230
3-hydroxy-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 24704137
N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
N-[(1S)-2-hydroxy-1-phenylethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 103945014
(2S)-3-[(3-bromo-2-chlorobenzoyl)amino]-2-hydroxypropanoic acid
CID 107833301

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 66167281) is 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is O=C(NCC(O)C(=O)O)c1ccc[nH]c1=O.
What is the InChIKey of 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is GPFAOPWHGAWHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O5/c12-6(9(15)16)4-11-8(14)5-2-1-3-10-7(5)13/h1-3,6,12H,4H2,(H,10,13)(H,11,14)(H,15,16).
What are the key properties of 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 226.19 g/mol, XLogP of -1.45, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66167281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).