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

C14H18N2O4 — CID 104772745

IUPAC2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NCC2(CC(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-10(13(20)16-9)12(19)15-8-14(5-2-6-14)7-11(17)18/h3-4H,2,5-8H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyCDGQVAVKEAOKKT-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.06
Rot. Bonds5

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

2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 104772745) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID104772745
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESCc1ccc(C(=O)NCC2(CC(=O)O)CCC2)c(=O)[nH]1
InChIInChI=1S/C14H18N2O4/c1-9-3-4-10(13(20)16-9)12(19)15-8-14(5-2-6-14)7-11(17)18/h3-4H,2,5-8H2,1H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyCDGQVAVKEAOKKT-UHFFFAOYSA-N
XLogP1.06
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[1-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81164962
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 104772793
1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 115910151
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
2-[1-[[(4-bromo-2-chlorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164709
methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115584292
2-[1-[[(4-amino-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107207923
2-[1-[[(2-chloro-5-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 106500375
2-methyl-2-[1-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]cyclobutyl]propanoic acid
CID 167754640
2-[1-[[(5-chloro-2-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165285

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 104772745) is 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid is Cc1ccc(C(=O)NCC2(CC(=O)O)CCC2)c(=O)[nH]1.
What is the InChIKey of 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is CDGQVAVKEAOKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-3-4-10(13(20)16-9)12(19)15-8-14(5-2-6-14)7-11(17)18/h3-4H,2,5-8H2,1H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 278.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 104772745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).