2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

C11H14N2O4 — CID 43355338

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)NC(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O4/c1-5-4-6(2)12-9(14)8(5)10(15)13-7(3)11(16)17/h4,7H,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyKLDNNMXFTSAHJU-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.19
Rot. Bonds3

About 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (PubChem CID 43355338) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
PubChem CID43355338
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid
SMILESCc1cc(C)c(C(=O)NC(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O4/c1-5-4-6(2)12-9(14)8(5)10(15)13-7(3)11(16)17/h4,7H,1-3H3,(H,12,14)(H,13,15)(H,16,17)
InChIKeyKLDNNMXFTSAHJU-UHFFFAOYSA-N
XLogP0.19
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid (CID 43355338) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is Cc1cc(C)c(C(=O)NC(C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is KLDNNMXFTSAHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-5-4-6(2)12-9(14)8(5)10(15)13-7(3)11(16)17/h4,7H,1-3H3,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 238.24 g/mol, XLogP of 0.19, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 43355338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).