5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid

C15H17NO5 — CID 120690785

IUPAC5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
SMILESCOCCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H17NO5/c1-20-7-3-2-4-14(17)16-11-5-6-12-10(8-11)9-13(21-12)15(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyOKFPEZOGSKIBRT-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.89
Rot. Bonds7

About 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid

5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid (PubChem CID 120690785) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
PubChem CID120690785
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
SMILESCOCCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H17NO5/c1-20-7-3-2-4-14(17)16-11-5-6-12-10(8-11)9-13(21-12)15(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,18,19)
InChIKeyOKFPEZOGSKIBRT-UHFFFAOYSA-N
XLogP2.89
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690885
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
5-(2-butoxypropanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690744
5-[(2-pentylsulfonylacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690836
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoylamino]-1-benzofuran-2-carboxylic acid
CID 120690778
2-[5-(5-methoxypentanoylamino)indol-1-yl]acetic acid
CID 119235428
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
5-[(2-chloroacetyl)amino]-1-benzofuran-2-carboxamide
CID 167837532
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid (CID 120690785) is 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid is COCCCCC(=O)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
The InChIKey is OKFPEZOGSKIBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-20-7-3-2-4-14(17)16-11-5-6-12-10(8-11)9-13(21-12)15(18)19/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).