5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid

C16H17NO5 — CID 120690697

IUPAC5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(COC1CCCC1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H17NO5/c18-15(9-21-12-3-1-2-4-12)17-11-5-6-13-10(7-11)8-14(22-13)16(19)20/h5-8,12H,1-4,9H2,(H,17,18)(H,19,20)
InChIKeySUCGSYPJCCQYKL-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.03
Rot. Bonds5

About 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid

5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690697) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
PubChem CID120690697
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
SMILESO=C(COC1CCCC1)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C16H17NO5/c18-15(9-21-12-3-1-2-4-12)17-11-5-6-13-10(7-11)8-14(22-13)16(19)20/h5-8,12H,1-4,9H2,(H,17,18)(H,19,20)
InChIKeySUCGSYPJCCQYKL-UHFFFAOYSA-N
XLogP3.03
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811
N-(4-aminophenyl)-2-cyclopentyloxyacetamide
CID 16783535
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
N-(3-amino-4-chlorophenyl)-2-cyclopentyloxyacetamide
CID 16794185
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
2-[5-[(2-cyclopentyloxyacetyl)amino]indol-1-yl]acetic acid
CID 119235421
5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690885
2-[[2-[4-[(2-cyclopentyloxyacetyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224317
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
5-[(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690794

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid (CID 120690697) is 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid is O=C(COC1CCCC1)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is SUCGSYPJCCQYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c18-15(9-21-12-3-1-2-4-12)17-11-5-6-13-10(7-11)8-14(22-13)16(19)20/h5-8,12H,1-4,9H2,(H,17,18)(H,19,20).
What are the key properties of 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid?
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).