2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid

C9H12N2O3 — CID 55268386

IUPAC2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid
SMILESCc1cc(=O)[nH]cc1C(C)(N)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-3-7(12)11-4-6(5)9(2,10)8(13)14/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMSLLMPCRTVSNJH-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.06
Rot. Bonds2

About 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid

2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid (PubChem CID 55268386) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid
PubChem CID55268386
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid
SMILESCc1cc(=O)[nH]cc1C(C)(N)C(=O)O
InChIInChI=1S/C9H12N2O3/c1-5-3-7(12)11-4-6(5)9(2,10)8(13)14/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyMSLLMPCRTVSNJH-UHFFFAOYSA-N
XLogP-0.06
TPSA96.18 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid?
The IUPAC name of 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid (CID 55268386) is 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid is Cc1cc(=O)[nH]cc1C(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid?
The InChIKey is MSLLMPCRTVSNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-5-3-7(12)11-4-6(5)9(2,10)8(13)14/h3-4H,10H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid?
2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid has a molecular weight of 196.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methyl-6-oxo-1H-pyridin-3-yl)propanoic acid is sourced from PubChem (CID 55268386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).