1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

C12H14N2O4 — CID 115910151

IUPAC1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(9(15)13-7)10(16)14-12(11(17)18)5-2-6-12/h3-4H,2,5-6H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyNMZYGEBDUOSATM-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.42
Rot. Bonds3

About 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid

1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 115910151) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
PubChem CID115910151
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C12H14N2O4/c1-7-3-4-8(9(15)13-7)10(16)14-12(11(17)18)5-2-6-12/h3-4H,2,5-6H2,1H3,(H,13,15)(H,14,16)(H,17,18)
InChIKeyNMZYGEBDUOSATM-UHFFFAOYSA-N
XLogP0.42
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid (CID 115910151) is 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is Cc1ccc(C(=O)NC2(C(=O)O)CCC2)c(=O)[nH]1.
What is the InChIKey of 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is NMZYGEBDUOSATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7-3-4-8(9(15)13-7)10(16)14-12(11(17)18)5-2-6-12/h3-4H,2,5-6H2,1H3,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid?
1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 250.25 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115910151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).