1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid

C13H15NO3 — CID 65451768

IUPAC1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)cc(C(=O)NC2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15NO3/c1-8-5-9(2)7-10(6-8)11(15)14-13(3-4-13)12(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFDTFGAASKWYCFP-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.65
Rot. Bonds3

About 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid

1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid (PubChem CID 65451768) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
PubChem CID65451768
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid
SMILESCc1cc(C)cc(C(=O)NC2(C(=O)O)CC2)c1
InChIInChI=1S/C13H15NO3/c1-8-5-9(2)7-10(6-8)11(15)14-13(3-4-13)12(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyFDTFGAASKWYCFP-UHFFFAOYSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid (CID 65451768) is 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid is Cc1cc(C)cc(C(=O)NC2(C(=O)O)CC2)c1.
What is the InChIKey of 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid?
The InChIKey is FDTFGAASKWYCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8-5-9(2)7-10(6-8)11(15)14-13(3-4-13)12(16)17/h5-7H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid?
1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylbenzoyl)amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65451768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).