5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid

C16H15NO4 — CID 129467811

IUPAC5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(C[C@@H]1C=CCC1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H15NO4/c18-15(7-10-3-1-2-4-10)17-12-5-6-13-11(8-12)9-14(21-13)16(19)20/h1,3,5-6,8-10H,2,4,7H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyPNUWXRCYXKBQKF-SNVBAGLBSA-N
MW285.30 g/mol
LogP3.43
Rot. Bonds4

About 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid

5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid (PubChem CID 129467811) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
PubChem CID129467811
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(C[C@@H]1C=CCC1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H15NO4/c18-15(7-10-3-1-2-4-10)17-12-5-6-13-11(8-12)9-14(21-13)16(19)20/h1,3,5-6,8-10H,2,4,7H2,(H,17,18)(H,19,20)/t10-/m1/s1
InChIKeyPNUWXRCYXKBQKF-SNVBAGLBSA-N
XLogP3.43
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
N-(1,3-benzodioxol-5-yl)-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 9037032
N-(3-chloro-4-methylphenyl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9068457
N-(1,3-benzodioxol-5-yl)-2-[(1R)-cyclopent-2-en-1-yl]acetamide
CID 9037034
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
2-cyclopent-2-en-1-yl-N-(3-hydroxyphenyl)acetamide
CID 43183292
N-(3-amino-4-methoxyphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 43599907
2-cyclopent-2-en-1-yl-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 18204023
N-(4-acetamido-3-methylphenyl)-2-cyclopent-2-en-1-ylacetamide
CID 42945795
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylmethyl)phenyl]acetamide
CID 86865204
[2-(dibenzofuran-2-ylamino)-2-oxoethyl] 2-[(1S)-cyclopent-2-en-1-yl]acetate
CID 9065686

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid (CID 129467811) is 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid is O=C(C[C@@H]1C=CCC1)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is PNUWXRCYXKBQKF-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H15NO4/c18-15(7-10-3-1-2-4-10)17-12-5-6-13-11(8-12)9-14(21-13)16(19)20/h1,3,5-6,8-10H,2,4,7H2,(H,17,18)(H,19,20)/t10-/m1/s1.
What are the key properties of 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid?
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 129467811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).