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

C11H14N2O4 — CID 43356292

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C)c(C(=O)N(C)CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O4/c1-6-4-7(2)12-10(16)9(6)11(17)13(3)5-8(14)15/h4H,5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyHCCDNTOZEHXETH-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.15
Rot. Bonds3

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

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid (PubChem CID 43356292) 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)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid
PubChem CID43356292
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C)c(C(=O)N(C)CC(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H14N2O4/c1-6-4-7(2)12-10(16)9(6)11(17)13(3)5-8(14)15/h4H,5H2,1-3H3,(H,12,16)(H,14,15)
InChIKeyHCCDNTOZEHXETH-UHFFFAOYSA-N
XLogP0.15
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.15
H-Bond Donors ≤ 52
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)-methylamino]acetic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid (CID 43356292) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid is Cc1cc(C)c(C(=O)N(C)CC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid?
The InChIKey is HCCDNTOZEHXETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-6-4-7(2)12-10(16)9(6)11(17)13(3)5-8(14)15/h4H,5H2,1-3H3,(H,12,16)(H,14,15).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-methylamino]acetic acid has a molecular weight of 238.24 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 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)-methylamino]acetic acid is sourced from PubChem (CID 43356292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).