2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid

C16H17NO4 — CID 119217742

IUPAC2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cccc2cc(C(=O)NC3(CC(=O)O)CCC3)oc12
InChIInChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(21-14(10)11)15(20)17-16(6-3-7-16)9-13(18)19/h2,4-5,8H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyUQRZXGRUGXMONG-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.87
Rot. Bonds4

About 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 119217742) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID119217742
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
SMILESCc1cccc2cc(C(=O)NC3(CC(=O)O)CCC3)oc12
InChIInChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(21-14(10)11)15(20)17-16(6-3-7-16)9-13(18)19/h2,4-5,8H,3,6-7,9H2,1H3,(H,17,20)(H,18,19)
InChIKeyUQRZXGRUGXMONG-UHFFFAOYSA-N
XLogP2.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(7-bromo-5-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120521963
2-[1-[(2-fluoro-3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 81480559
2-[1-[(3-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848230
2-[1-[(4,5-diethylfuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 120686844
2-[1-[(3-hydroxy-4-methylbenzoyl)amino]cyclobutyl]acetic acid
CID 79848771
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119234840
2-[1-[(4-methylthiophene-3-carbonyl)amino]cyclobutyl]acetic acid
CID 79845790
(1-aminocyclohexyl)-(7-methyl-1-benzofuran-2-yl)methanone
CID 114736196
2-[1-(aminomethyl)cyclohexyl]-1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 114737417
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
2-[1-[[3-(methoxymethyl)benzoyl]amino]cyclobutyl]acetic acid
CID 79848221

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid (CID 119217742) is 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid is Cc1cccc2cc(C(=O)NC3(CC(=O)O)CCC3)oc12.
What is the InChIKey of 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is UQRZXGRUGXMONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-4-2-5-11-8-12(21-14(10)11)15(20)17-16(6-3-7-16)9-13(18)19/h2,4-5,8H,3,6-7,9H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 287.31 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 119217742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).