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

C10H12N2O4 — CID 43354473

IUPAC2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)NCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H12N2O4/c1-5-3-6(2)12-10(16)8(5)9(15)11-4-7(13)14/h3H,4H2,1-2H3,(H,11,15)(H,12,16)(H,13,14)
InChIKeyBROMHXRSUNGXMU-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.19
Rot. Bonds3

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

2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (PubChem CID 43354473) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
PubChem CID43354473
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid
SMILESCc1cc(C)c(C(=O)NCC(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H12N2O4/c1-5-3-6(2)12-10(16)8(5)9(15)11-4-7(13)14/h3H,4H2,1-2H3,(H,11,15)(H,12,16)(H,13,14)
InChIKeyBROMHXRSUNGXMU-UHFFFAOYSA-N
XLogP-0.19
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.19
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]acetic acid?
The IUPAC name of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid (CID 43354473) is 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid is Cc1cc(C)c(C(=O)NCC(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
The InChIKey is BROMHXRSUNGXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-5-3-6(2)12-10(16)8(5)9(15)11-4-7(13)14/h3H,4H2,1-2H3,(H,11,15)(H,12,16)(H,13,14).
What are the key properties of 2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid?
2-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetic acid has a molecular weight of 224.22 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]acetic acid is sourced from PubChem (CID 43354473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).