4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid

C9H11NO4 — CID 10330335

IUPAC4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid
SMILESO=C(O)CCCn1cccc(O)c1=O
InChIInChI=1S/C9H11NO4/c11-7-3-1-5-10(9(7)14)6-2-4-8(12)13/h1,3,5,11H,2,4,6H2,(H,12,13)
InChIKeyUCRUZOGZHMBDNL-UHFFFAOYSA-N
MW197.19 g/mol
LogP0.42
Rot. Bonds4

About 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid

4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 10330335) has the molecular formula C9H11NO4 and a molecular weight of 197.19 g/mol. Its IUPAC name is 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid
PubChem CID10330335
Molecular FormulaC9H11NO4
Molecular Weight197.19 g/mol
Exact Mass197.07
IUPAC Name4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid
SMILESO=C(O)CCCn1cccc(O)c1=O
InChIInChI=1S/C9H11NO4/c11-7-3-1-5-10(9(7)14)6-2-4-8(12)13/h1,3,5,11H,2,4,6H2,(H,12,13)
InChIKeyUCRUZOGZHMBDNL-UHFFFAOYSA-N
XLogP0.42
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-Fluoro-2-oxo-1-pyridinyl)butanoic acid
CID 82147389
3-(3-Hydroxy-2-oxo-1-pyridinyl)propanoic acid
CID 10261770
5-(3-Hydroxy-2-oxo-1-pyridinyl)pentanoic acid
CID 10443125
4-(2-Oxo-1,2-dihydropyridin-1-yl)butanoic acid
CID 12390553
4-(3-Methyl-2-oxo-1-pyridinyl)butanoic acid
CID 63172860
4-(3-Methoxy-2-oxo-1-pyridinyl)butanoic acid
CID 70037041
4-[3-(2-Amino-2-oxoethoxy)-2-oxo-1-pyridinyl]butanoic acid
CID 82056179
4-[3-(2-Carboxyethoxy)-2-oxo-1-pyridinyl]butanoic acid
CID 82056180
4-(2-Oxo-3-prop-2-enoxy-1-pyridinyl)butanoic acid
CID 82056186
4-(2-Oxo-3-propoxy-1-pyridinyl)butanoic acid
CID 82056187
4-(3-Butoxy-2-oxo-1-pyridinyl)butanoic acid
CID 82056188
4-(2-Oxo-3-pentoxy-1-pyridinyl)butanoic acid
CID 82056189

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid (CID 10330335) is 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid is O=C(O)CCCn1cccc(O)c1=O.
What is the InChIKey of 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is UCRUZOGZHMBDNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO4/c11-7-3-1-5-10(9(7)14)6-2-4-8(12)13/h1,3,5,11H,2,4,6H2,(H,12,13).
What are the key properties of 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid?
4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 197.19 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 10330335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).