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

C15H20N2O4 — CID 167754640

IUPAC2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid
SMILESCc1ccc(C(=O)NC2(C(C)(C)C(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-5-6-10(11(18)16-9)12(19)17-15(7-4-8-15)14(2,3)13(20)21/h5-6H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUYJQVOLICPVHEO-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.45
Rot. Bonds4

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

2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid (PubChem CID 167754640) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid
PubChem CID167754640
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid
SMILESCc1ccc(C(=O)NC2(C(C)(C)C(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C15H20N2O4/c1-9-5-6-10(11(18)16-9)12(19)17-15(7-4-8-15)14(2,3)13(20)21/h5-6H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21)
InChIKeyUYJQVOLICPVHEO-UHFFFAOYSA-N
XLogP1.45
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid?
The IUPAC name of 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid (CID 167754640) is 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid is Cc1ccc(C(=O)NC2(C(C)(C)C(=O)O)CCC2)c(=O)[nH]1.
What is the InChIKey of 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid?
The InChIKey is UYJQVOLICPVHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-5-6-10(11(18)16-9)12(19)17-15(7-4-8-15)14(2,3)13(20)21/h5-6H,4,7-8H2,1-3H3,(H,16,18)(H,17,19)(H,20,21).
What are the key properties of 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid?
2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid is sourced from PubChem (CID 167754640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).