2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid

C9H12N2O3 — CID 65441444

IUPAC2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1cccn(CC(N)C(=O)O)c1=O
InChIInChI=1S/C9H12N2O3/c1-6-3-2-4-11(8(6)12)5-7(10)9(13)14/h2-4,7H,5,10H2,1H3,(H,13,14)
InChIKeyYHZKKGLIYIKZPM-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.43
Rot. Bonds3

About 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid

2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 65441444) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
PubChem CID65441444
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1cccn(CC(N)C(=O)O)c1=O
InChIInChI=1S/C9H12N2O3/c1-6-3-2-4-11(8(6)12)5-7(10)9(13)14/h2-4,7H,5,10H2,1H3,(H,13,14)
InChIKeyYHZKKGLIYIKZPM-UHFFFAOYSA-N
XLogP-0.43
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 ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid (CID 65441444) is 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid is Cc1cccn(CC(N)C(=O)O)c1=O.
What is the InChIKey of 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is YHZKKGLIYIKZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-3-2-4-11(8(6)12)5-7(10)9(13)14/h2-4,7H,5,10H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid?
2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-methyl-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 65441444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).