1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H15NO5 — CID 55034788

IUPAC1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2(C(=O)O)CC2)cc1OC
InChIInChI=1S/C13H15NO5/c1-18-9-4-3-8(7-10(9)19-2)14-11(15)13(5-6-13)12(16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYGIPEISBJORZJJ-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.51
Rot. Bonds5

About 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 55034788) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID55034788
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2(C(=O)O)CC2)cc1OC
InChIInChI=1S/C13H15NO5/c1-18-9-4-3-8(7-10(9)19-2)14-11(15)13(5-6-13)12(16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYGIPEISBJORZJJ-UHFFFAOYSA-N
XLogP1.51
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-bromo-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 82860618
1-N-benzyl-1-N'-(3,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108974842
1-carbamothioyl-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 80591866
N-(3,4-dimethoxyphenyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108974020
1-N'-(3,4-dimethoxyphenyl)-1-N-(2-phenylethyl)cyclopropane-1,1-dicarboxamide
CID 108977169
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
1-N,3-N-bis(3,4-dimethoxyphenyl)adamantane-1,3-dicarboxamide
CID 2964586
1-amino-N-(3,4-dimethoxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119263106
1-[(5-bromo-2-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096794
1-acetyl-N-(3-fluoro-4-methoxyphenyl)cyclopropane-1-carboxamide
CID 123914370
1-[(4-methoxy-2,3-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 115181819

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 55034788) is 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is COc1ccc(NC(=O)C2(C(=O)O)CC2)cc1OC.
What is the InChIKey of 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YGIPEISBJORZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-9-4-3-8(7-10(9)19-2)14-11(15)13(5-6-13)12(16)17/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55034788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).