1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H12FNO3 — CID 62096644

IUPAC1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1c(F)cccc1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H12FNO3/c1-7-8(13)3-2-4-9(7)14-10(15)12(5-6-12)11(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyJMAXRAPWPKZKIY-UHFFFAOYSA-N
MW237.23 g/mol
LogP1.94
Rot. Bonds3

About 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62096644) has the molecular formula C12H12FNO3 and a molecular weight of 237.23 g/mol. Its IUPAC name is 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62096644
Molecular FormulaC12H12FNO3
Molecular Weight237.23 g/mol
Exact Mass237.08
IUPAC Name1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCc1c(F)cccc1NC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C12H12FNO3/c1-7-8(13)3-2-4-9(7)14-10(15)12(5-6-12)11(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17)
InChIKeyJMAXRAPWPKZKIY-UHFFFAOYSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(3-fluoro-2-methylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62096644) is 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is Cc1c(F)cccc1NC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JMAXRAPWPKZKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3/c1-7-8(13)3-2-4-9(7)14-10(15)12(5-6-12)11(16)17/h2-4H,5-6H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 237.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-2-methylphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62096644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).