2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid

C11H14N2O4 — CID 64581109

IUPAC2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid
SMILESCC(=O)NC(Cn1c(C)cccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-4-3-5-10(15)13(7)6-9(11(16)17)12-8(2)14/h3-5,9H,6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyKMOXNZJNURZIJY-UHFFFAOYSA-N
MW238.24 g/mol
LogP-0.25
Rot. Bonds4

About 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid

2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid (PubChem CID 64581109) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid
PubChem CID64581109
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid
SMILESCC(=O)NC(Cn1c(C)cccc1=O)C(=O)O
InChIInChI=1S/C11H14N2O4/c1-7-4-3-5-10(15)13(7)6-9(11(16)17)12-8(2)14/h3-5,9H,6H2,1-2H3,(H,12,14)(H,16,17)
InChIKeyKMOXNZJNURZIJY-UHFFFAOYSA-N
XLogP-0.25
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Antibiotic A 19009
CID 6439822
Methyl 2-acetamido-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoate
CID 81308626
2-Amino-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81318580
2-Acetamido-3-[2-oxo-6-(trifluoromethyl)-1-pyridinyl]propanoic acid
CID 81319862
Fluoro 3-[[2-(3-amino-6-methyl-2-oxo-1-pyridinyl)acetyl]amino]propanoate
CID 141897518
2-(3-Acetamido-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 11820421
2-[3-(Methylamino)-2-oxo-1-pyridinyl]acetic acid
CID 18718030
1-[(6-carbamoyl-2-oxo-1H-pyridin-3-yl)methyl]aziridine-2-carboxylic acid
CID 21241785
2-(3-Amino-2-oxo-1-pyridinyl)-2-methylpropanoic acid
CID 22104300
2-[6-Methyl-3-(methylamino)-2-oxo-1-pyridinyl]propanoic acid
CID 22954643
3-[[2-(3-Amino-2-oxo-1-pyridinyl)acetyl]amino]-4-oxopentanoic acid
CID 23111970
2-[(3E,5Z,7Z)-3-amino-2-oxoazocin-1-yl]propanoic acid
CID 23322538

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid?
The IUPAC name of 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid (CID 64581109) is 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid is CC(=O)NC(Cn1c(C)cccc1=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid?
The InChIKey is KMOXNZJNURZIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-7-4-3-5-10(15)13(7)6-9(11(16)17)12-8(2)14/h3-5,9H,6H2,1-2H3,(H,12,14)(H,16,17).
What are the key properties of 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid?
2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid has a molecular weight of 238.24 g/mol, XLogP of -0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(2-methyl-6-oxo-1-pyridinyl)propanoic acid is sourced from PubChem (CID 64581109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).