2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H15NO5 — CID 60792514

IUPAC2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C13H15NO5/c1-18-10-4-3-7(5-11(10)19-2)14-12(15)8-6-9(8)13(16)17/h3-5,8-9H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYSASLLYACWJGLN-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.36
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60792514) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60792514
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(NC(=O)C2CC2C(=O)O)cc1OC
InChIInChI=1S/C13H15NO5/c1-18-10-4-3-7(5-11(10)19-2)14-12(15)8-6-9(8)13(16)17/h3-5,8-9H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyYSASLLYACWJGLN-UHFFFAOYSA-N
XLogP1.36
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 ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethoxy-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60791430
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
2-N-(4-acetylphenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143693
2-N-(3-chlorophenyl)-1-N-(3,4-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142885
2-N-(3,4-dimethoxyphenyl)-1-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109141860
1-N-(3,4-dimethoxyphenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133755
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
1-N-benzyl-2-N-(3,4-dimethoxyphenyl)-1-N-methylcyclopropane-1,2-dicarboxamide
CID 109135831
2-[[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180002
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270376
cis-(1R,2S)-N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-methylcyclopropane-1-carboxamide
CID 25465635

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60792514) is 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is COc1ccc(NC(=O)C2CC2C(=O)O)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is YSASLLYACWJGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-10-4-3-7(5-11(10)19-2)14-12(15)8-6-9(8)13(16)17/h3-5,8-9H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60792514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).