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

C15H14N2O5 — CID 120690748

IUPAC5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
SMILESCNC(=O)C1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CC1
InChIInChI=1S/C15H14N2O5/c1-16-13(20)15(4-5-15)14(21)17-9-2-3-10-8(6-9)7-11(22-10)12(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyZRYPLONTXZCTGT-UHFFFAOYSA-N
MW302.29 g/mol
LogP1.60
Rot. Bonds4

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

5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690748) has the molecular formula C15H14N2O5 and a molecular weight of 302.29 g/mol. Its IUPAC name is 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
PubChem CID120690748
Molecular FormulaC15H14N2O5
Molecular Weight302.29 g/mol
Exact Mass302.09
IUPAC Name5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid
SMILESCNC(=O)C1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CC1
InChIInChI=1S/C15H14N2O5/c1-16-13(20)15(4-5-15)14(21)17-9-2-3-10-8(6-9)7-11(22-10)12(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyZRYPLONTXZCTGT-UHFFFAOYSA-N
XLogP1.60
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-[(1-methylsulfonylcyclopentanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690901
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
5-(4-propan-2-yloxybutanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690885
5-[(2-ethoxycyclopropanecarbonyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690724
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-(4-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690828
5-(5-methoxypentanoylamino)-1-benzofuran-2-carboxylic acid
CID 120690785
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-[(4-methylanilino)methyl]-1-benzofuran-2-carboxylic acid
CID 103234858
1-N-methyl-1-N'-phenylcyclopentane-1,1-dicarboxamide
CID 164543902
5-[[2-[(1R)-cyclopent-2-en-1-yl]acetyl]amino]-1-benzofuran-2-carboxylic acid
CID 129467811

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid (CID 120690748) is 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid is CNC(=O)C1(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)CC1.
What is the InChIKey of 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is ZRYPLONTXZCTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O5/c1-16-13(20)15(4-5-15)14(21)17-9-2-3-10-8(6-9)7-11(22-10)12(18)19/h2-3,6-7H,4-5H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid?
5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 302.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(methylcarbamoyl)cyclopropanecarbonyl]amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).