2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid

C14H16FNO3 — CID 81480559

IUPAC2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1F
InChIInChI=1S/C14H16FNO3/c1-9-4-2-5-10(12(9)15)13(19)16-14(6-3-7-14)8-11(17)18/h2,4-5H,3,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLUAOKHGXZASIJY-UHFFFAOYSA-N
MW265.28 g/mol
LogP2.26
Rot. Bonds4

About 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid

2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 81480559) has the molecular formula C14H16FNO3 and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
PubChem CID81480559
Molecular FormulaC14H16FNO3
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1F
InChIInChI=1S/C14H16FNO3/c1-9-4-2-5-10(12(9)15)13(19)16-14(6-3-7-14)8-11(17)18/h2,4-5H,3,6-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyLUAOKHGXZASIJY-UHFFFAOYSA-N
XLogP2.26
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-fluoro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-methylbenzamide
CID 81479815
2-[1-(2,3-dihydro-1H-indene-4-carbonylamino)cyclobutyl]acetic acid
CID 120686820
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
N-[1-(diethylaminomethyl)cyclopropyl]-2-fluoro-3-methylbenzamide
CID 122562854
2-[1-[(2,4-difluorobenzoyl)amino]cyclobutyl]acetic acid
CID 79848237
2-[1-[(2-hydroxy-3-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672584
1-[[(2-fluoro-3-methylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445182
2-[1-[(2-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672571
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid (CID 81480559) is 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid is Cc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1F.
What is the InChIKey of 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is LUAOKHGXZASIJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO3/c1-9-4-2-5-10(12(9)15)13(19)16-14(6-3-7-14)8-11(17)18/h2,4-5H,3,6-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 265.28 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 81480559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).