1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C13H16N2O4 — CID 122564246

IUPAC1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)n1C
InChIInChI=1S/C13H16N2O4/c1-8-4-5-9(11(17)15(8)2)10(16)14-13(12(18)19)6-3-7-13/h4-5H,3,6-7H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyOBOUHBYANBSVAZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.43
Rot. Bonds3

About 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 122564246) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID122564246
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)n1C
InChIInChI=1S/C13H16N2O4/c1-8-4-5-9(11(17)15(8)2)10(16)14-13(12(18)19)6-3-7-13/h4-5H,3,6-7H2,1-2H3,(H,14,16)(H,18,19)
InChIKeyOBOUHBYANBSVAZ-UHFFFAOYSA-N
XLogP0.43
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 122564246) is 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)n1C.
What is the InChIKey of 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is OBOUHBYANBSVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-8-4-5-9(11(17)15(8)2)10(16)14-13(12(18)19)6-3-7-13/h4-5H,3,6-7H2,1-2H3,(H,14,16)(H,18,19).
What are the key properties of 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,6-dimethyl-2-oxopyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 122564246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).