2-(3-amino-2-oxo-1-pyridinyl)butanoic acid

C9H12N2O3 — CID 57187060

IUPAC2-(3-amino-2-oxo-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-2-7(9(13)14)11-5-3-4-6(10)8(11)12/h3-5,7H,2,10H2,1H3,(H,13,14)
InChIKeyYCGKRYHGDLBXLT-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.47
Rot. Bonds3

About 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid

2-(3-amino-2-oxo-1-pyridinyl)butanoic acid (PubChem CID 57187060) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid.

Molecular Properties

Compound Name2-(3-amino-2-oxo-1-pyridinyl)butanoic acid
PubChem CID57187060
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-amino-2-oxo-1-pyridinyl)butanoic acid
SMILESCCC(C(=O)O)n1cccc(N)c1=O
InChIInChI=1S/C9H12N2O3/c1-2-7(9(13)14)11-5-3-4-6(10)8(11)12/h3-5,7H,2,10H2,1H3,(H,13,14)
InChIKeyYCGKRYHGDLBXLT-UHFFFAOYSA-N
XLogP0.47
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid?
The IUPAC name of 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid (CID 57187060) is 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid.
What is the SMILES notation for 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid?
The canonical SMILES for 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid is CCC(C(=O)O)n1cccc(N)c1=O.
What is the InChIKey of 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid?
The InChIKey is YCGKRYHGDLBXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-2-7(9(13)14)11-5-3-4-6(10)8(11)12/h3-5,7H,2,10H2,1H3,(H,13,14).
What are the key properties of 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid?
2-(3-amino-2-oxo-1-pyridinyl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-oxo-1-pyridinyl)butanoic acid is sourced from PubChem (CID 57187060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).