2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid

C9H12N2O3 — CID 67651443

IUPAC2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1ccn(C(C)C(=O)O)c(=O)c1N
InChIInChI=1S/C9H12N2O3/c1-5-3-4-11(6(2)9(13)14)8(12)7(5)10/h3-4,6H,10H2,1-2H3,(H,13,14)
InChIKeyBTXFGESDZBMELH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.38
Rot. Bonds2

About 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid

2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid (PubChem CID 67651443) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid
PubChem CID67651443
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid
SMILESCc1ccn(C(C)C(=O)O)c(=O)c1N
InChIInChI=1S/C9H12N2O3/c1-5-3-4-11(6(2)9(13)14)8(12)7(5)10/h3-4,6H,10H2,1-2H3,(H,13,14)
InChIKeyBTXFGESDZBMELH-UHFFFAOYSA-N
XLogP0.38
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid (CID 67651443) is 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid is Cc1ccn(C(C)C(=O)O)c(=O)c1N.
What is the InChIKey of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid?
The InChIKey is BTXFGESDZBMELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-3-4-11(6(2)9(13)14)8(12)7(5)10/h3-4,6H,10H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid?
2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-methyl-2-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 67651443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).