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

C14H17NO3 — CID 79848230

IUPAC2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C14H17NO3/c1-10-4-2-5-11(8-10)13(18)15-14(6-3-7-14)9-12(16)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyKYEJVYBKSCLYIM-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.12
Rot. Bonds4

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

2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid (PubChem CID 79848230) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
PubChem CID79848230
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
SMILESCc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1
InChIInChI=1S/C14H17NO3/c1-10-4-2-5-11(8-10)13(18)15-14(6-3-7-14)9-12(16)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,18)(H,16,17)
InChIKeyKYEJVYBKSCLYIM-UHFFFAOYSA-N
XLogP2.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-[1-[(4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64671347
2-[1-[[methyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79851387
2-[1-[[3-(3-methoxypropoxy)benzoyl]amino]cyclobutyl]acetic acid
CID 119217649
2-[1-[(3-hydroxy-2-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 82826485
2-[1-[[ethyl-(3-methylphenyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79842019
2-[1-[[5-methyl-1-(3-methylphenyl)pyrazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217136
2-[1-[[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)benzoyl]amino]cyclobutyl]acetic acid
CID 120522038
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(2-hydroxy-5-methylbenzoyl)amino]cyclopentyl]acetic acid
CID 64672001
2-[1-[(3-amino-4-methylbenzoyl)amino]cyclohexyl]acetic acid
CID 64686291
2-[1-[[4-(aminomethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79845339

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid (CID 79848230) is 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid is Cc1cccc(C(=O)NC2(CC(=O)O)CCC2)c1.
What is the InChIKey of 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid?
The InChIKey is KYEJVYBKSCLYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10-4-2-5-11(8-10)13(18)15-14(6-3-7-14)9-12(16)17/h2,4-5,8H,3,6-7,9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid?
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).