2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H15NO5 — CID 53270376

IUPAC2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(NC(=O)C2CC2C(=O)O)cc(OC)c1
InChIInChI=1S/C13H15NO5/c1-18-8-3-7(4-9(5-8)19-2)14-12(15)10-6-11(10)13(16)17/h3-5,10-11H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOPDJPVZVZDCVDA-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.36
Rot. Bonds5

About 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 53270376) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID53270376
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1cc(NC(=O)C2CC2C(=O)O)cc(OC)c1
InChIInChI=1S/C13H15NO5/c1-18-8-3-7(4-9(5-8)19-2)14-12(15)10-6-11(10)13(16)17/h3-5,10-11H,6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyOPDJPVZVZDCVDA-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

Analyze 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
trans-(1S,2S)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100101
cis-(1S,2R)-2-[(3,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 7100099
(1R,6R)-6-[(3,5-dimethoxyphenyl)carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6986777
2-[(4-fluoro-3-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114837407
trans-(1R,2R)-2-[4-(3,5-dimethoxyanilino)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 146134663
N-(3,5-dimethoxyphenyl)cyclobutanecarboxamide
CID 7772829
N-(3,5-dimethoxyphenyl)cyclopentanecarboxamide
CID 4812784
3-[(3,5-dimethoxyphenyl)carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 64835943

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 53270376) is 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is COc1cc(NC(=O)C2CC2C(=O)O)cc(OC)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is OPDJPVZVZDCVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-8-3-7(4-9(5-8)19-2)14-12(15)10-6-11(10)13(16)17/h3-5,10-11H,6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[(3,5-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-[(3,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53270376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).