1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

C16H17NO4 — CID 43351135

IUPAC1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCCC2)oc2ccccc12
InChIInChI=1S/C16H17NO4/c1-10-11-6-2-3-7-12(11)21-13(10)14(18)17-16(15(19)20)8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyWJHGCUZGDRQLRN-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.87
Rot. Bonds3

About 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid

1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 43351135) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID43351135
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCc1c(C(=O)NC2(C(=O)O)CCCC2)oc2ccccc12
InChIInChI=1S/C16H17NO4/c1-10-11-6-2-3-7-12(11)21-13(10)14(18)17-16(15(19)20)8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyWJHGCUZGDRQLRN-UHFFFAOYSA-N
XLogP2.87
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

1-[(3,7-dimethyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 119176798
N-[1-(hydroxymethyl)cyclobutyl]-3-methyl-1-benzofuran-2-carboxamide
CID 115878297
1-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81164307
N-[4-(4-acetylpiperazine-1-carbonyl)piperidin-4-yl]-3-methyl-1-benzofuran-2-carboxamide
CID 23819503
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
(2R)-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 54990569
1-[(2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341683
3-methyl-N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 4570219
3-methyl-N-pyridin-4-yl-1-benzofuran-2-carboxamide
CID 648777
1-[(3-methylfuran-2-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158869
3-methyl-N'-(4-methylbenzoyl)-1-benzofuran-2-carbohydrazide
CID 27608073
3-hydroxy-2-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43238782

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 43351135) is 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is Cc1c(C(=O)NC2(C(=O)O)CCCC2)oc2ccccc12.
What is the InChIKey of 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is WJHGCUZGDRQLRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-10-11-6-2-3-7-12(11)21-13(10)14(18)17-16(15(19)20)8-4-5-9-16/h2-3,6-7H,4-5,8-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid?
1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 287.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-benzofuran-2-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43351135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).