2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid

C8H10N2O4 — CID 68614187

IUPAC2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid
SMILESCC(Nn1ccc(=O)c(O)c1)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-5(8(13)14)9-10-3-2-6(11)7(12)4-10/h2-5,9,12H,1H3,(H,13,14)
InChIKeyLBZYIVSJEDYPMV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.43
Rot. Bonds3

About 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid

2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid (PubChem CID 68614187) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid
PubChem CID68614187
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid
SMILESCC(Nn1ccc(=O)c(O)c1)C(=O)O
InChIInChI=1S/C8H10N2O4/c1-5(8(13)14)9-10-3-2-6(11)7(12)4-10/h2-5,9,12H,1H3,(H,13,14)
InChIKeyLBZYIVSJEDYPMV-UHFFFAOYSA-N
XLogP-0.43
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid (CID 68614187) is 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid is CC(Nn1ccc(=O)c(O)c1)C(=O)O.
What is the InChIKey of 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid?
The InChIKey is LBZYIVSJEDYPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-5(8(13)14)9-10-3-2-6(11)7(12)4-10/h2-5,9,12H,1H3,(H,13,14).
What are the key properties of 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid?
2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 68614187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).