5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid

C15H17NO4 — CID 119234840

IUPAC5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
SMILESCc1cccc2cc(C(=O)NCCCCC(=O)O)oc12
InChIInChI=1S/C15H17NO4/c1-10-5-4-6-11-9-12(20-14(10)11)15(19)16-8-3-2-7-13(17)18/h4-6,9H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyCDXJCWJZZWFYJG-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.73
Rot. Bonds6

About 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid

5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid (PubChem CID 119234840) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
PubChem CID119234840
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
SMILESCc1cccc2cc(C(=O)NCCCCC(=O)O)oc12
InChIInChI=1S/C15H17NO4/c1-10-5-4-6-11-9-12(20-14(10)11)15(19)16-8-3-2-7-13(17)18/h4-6,9H,2-3,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyCDXJCWJZZWFYJG-UHFFFAOYSA-N
XLogP2.73
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic 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-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499
6-[(5-methylfuran-2-carbonyl)amino]hexanoic acid
CID 28776987
2-[[2-[4-[(7-methyl-1-benzofuran-2-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 75429273
N-hexyl-7-methoxy-1-benzofuran-2-carboxamide
CID 78870029
N-[(2R)-butan-2-yl]-7-methyl-1-benzofuran-2-carboxamide
CID 99646762
1-(7-methyl-1-benzofuran-2-yl)ethanone
CID 14468440
12-[(2-methylbenzoyl)amino]dodecanoic acid
CID 10759093
2-[1-[(7-methyl-1-benzofuran-2-carbonyl)amino]cyclobutyl]acetic acid
CID 119217742
6-[(3,4,7-trimethyl-1-benzofuran-2-carbonyl)amino]hexanoic acid
CID 119219938
N,N-dibenzyl-7-methyl-1-benzofuran-2-carboxamide
CID 100795337
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916
(2S,3S)-3-methyl-2-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 119194155

Frequently Asked Questions

What is the IUPAC name of 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid (CID 119234840) is 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid is Cc1cccc2cc(C(=O)NCCCCC(=O)O)oc12.
What is the InChIKey of 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid?
The InChIKey is CDXJCWJZZWFYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-10-5-4-6-11-9-12(20-14(10)11)15(19)16-8-3-2-7-13(17)18/h4-6,9H,2-3,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid?
5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid has a molecular weight of 275.30 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(7-methyl-1-benzofuran-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119234840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).