2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid

C13H15FN2O3 — CID 115496519

IUPAC2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cccc(F)n2)CCC1
InChIInChI=1S/C13H15FN2O3/c14-10-4-1-3-9(16-10)12(19)15-8-13(5-2-6-13)7-11(17)18/h1,3-4H,2,5-8H2,(H,15,19)(H,17,18)
InChIKeyZUGHAIWVNBIEGK-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.60
Rot. Bonds5

About 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid

2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid (PubChem CID 115496519) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
PubChem CID115496519
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Name2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
SMILESO=C(O)CC1(CNC(=O)c2cccc(F)n2)CCC1
InChIInChI=1S/C13H15FN2O3/c14-10-4-1-3-9(16-10)12(19)15-8-13(5-2-6-13)7-11(17)18/h1,3-4H,2,5-8H2,(H,15,19)(H,17,18)
InChIKeyZUGHAIWVNBIEGK-UHFFFAOYSA-N
XLogP1.60
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115496541
2-[1-[[(5-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104638357
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974
2-[(6-fluoropyridine-2-carbonyl)amino]acetic acid
CID 115496286
2-[1-[[(2,3,4-trifluorobenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81165406
2-[1-[[[2-(2,3-difluorophenyl)acetyl]amino]methyl]cyclobutyl]acetic acid
CID 81163884
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
2-[1-[[(2,6-dimethylpyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81164962
2-[1-[[(4-fluoro-2-hydroxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 107013745
N-(cyclopentylmethyl)-6-fluoropyridine-2-carboxamide
CID 115496783
7-[(6-fluoropyridine-2-carbonyl)amino]heptanoic acid
CID 113323237

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid (CID 115496519) is 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid is O=C(O)CC1(CNC(=O)c2cccc(F)n2)CCC1.
What is the InChIKey of 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
The InChIKey is ZUGHAIWVNBIEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c14-10-4-1-3-9(16-10)12(19)15-8-13(5-2-6-13)7-11(17)18/h1,3-4H,2,5-8H2,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid?
2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid has a molecular weight of 266.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid is sourced from PubChem (CID 115496519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).