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

C15H15NO5 — CID 120690724

IUPAC5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
SMILESCCOC1CC1C(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H15NO5/c1-2-20-12-7-10(12)14(17)16-9-3-4-11-8(5-9)6-13(21-11)15(18)19/h3-6,10,12H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeySQWZLSVRSURSMC-UHFFFAOYSA-N
MW289.29 g/mol
LogP2.49
Rot. Bonds5

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

5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690724) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
PubChem CID120690724
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
SMILESCCOC1CC1C(=O)Nc1ccc2oc(C(=O)O)cc2c1
InChIInChI=1S/C15H15NO5/c1-2-20-12-7-10(12)14(17)16-9-3-4-11-8(5-9)6-13(21-11)15(18)19/h3-6,10,12H,2,7H2,1H3,(H,16,17)(H,18,19)
InChIKeySQWZLSVRSURSMC-UHFFFAOYSA-N
XLogP2.49
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(1S,2S)-2-ethoxycyclopropanecarbonyl]amino]-2-methylbenzoic acid
CID 129414772
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
cis-(1S,2R)-2-ethoxy-N-(1-ethylindol-5-yl)cyclopropane-1-carboxamide
CID 96997581
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
ethyl 5-acetamido-1-benzofuran-2-carboxylate
CID 155578691
5-(2-butoxypropanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690744
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
4-[[(2-ethoxycyclopropanecarbonyl)amino]methyl]benzoic acid
CID 119165465
5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690748
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-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid (CID 120690724) is 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid is CCOC1CC1C(=O)Nc1ccc2oc(C(=O)O)cc2c1.
What is the InChIKey of 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is SQWZLSVRSURSMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5/c1-2-20-12-7-10(12)14(17)16-9-3-4-11-8(5-9)6-13(21-11)15(18)19/h3-6,10,12H,2,7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid?
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).