5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid

C15H17NO5 — CID 120690828

IUPAC5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
SMILESCOC(C)CCC(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H17NO5/c1-9(20-2)3-6-14(17)16-11-4-5-12-10(7-11)8-13(21-12)15(18)19/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZCGLPAXVWXBGOC-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.88
Rot. Bonds6

About 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid

5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid (PubChem CID 120690828) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
PubChem CID120690828
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
SMILESCOC(C)CCC(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H17NO5/c1-9(20-2)3-6-14(17)16-11-4-5-12-10(7-11)8-13(21-12)15(18)19/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyZCGLPAXVWXBGOC-UHFFFAOYSA-N
XLogP2.88
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690885
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
2-methoxy-4-(4-methoxypentanoylamino)benzoic acid
CID 107208767
5-(2-butoxypropanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690744
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
N-[3-(hydroxymethyl)phenyl]-4-methoxypentanamide
CID 113375207
N-[3-(aminomethyl)-4-fluorophenyl]-4-methoxypentanamide
CID 113382054
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-[(2-pentylsulfonylacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690836
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

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid (CID 120690828) is 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid is COC(C)CCC(=O)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
The InChIKey is ZCGLPAXVWXBGOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-9(20-2)3-6-14(17)16-11-4-5-12-10(7-11)8-13(21-12)15(18)19/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid?
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).