1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid

C12H10F3NO3 — CID 65451385

IUPAC1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)8-3-1-7(2-4-8)9(17)16-11(5-6-11)10(18)19/h1-4H,5-6H2,(H,16,17)(H,18,19)
InChIKeyDPLSRNLLHBWYTF-UHFFFAOYSA-N
MW273.21 g/mol
LogP2.05
Rot. Bonds3

About 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid

1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 65451385) has the molecular formula C12H10F3NO3 and a molecular weight of 273.21 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
PubChem CID65451385
Molecular FormulaC12H10F3NO3
Molecular Weight273.21 g/mol
Exact Mass273.06
IUPAC Name1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H10F3NO3/c13-12(14,15)8-3-1-7(2-4-8)9(17)16-11(5-6-11)10(18)19/h1-4H,5-6H2,(H,16,17)(H,18,19)
InChIKeyDPLSRNLLHBWYTF-UHFFFAOYSA-N
XLogP2.05
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
1-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158696
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-[[[4-(trifluoromethyl)benzoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 81369259
1-[(3,5-difluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 65450763
1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 65464806
1-[[4-(tetrazol-1-yl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65452192
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120530908
4-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]thiane-4-carboxylic acid
CID 120531183
4-[(4-hydroxybenzoyl)amino]oxane-4-carboxylic acid
CID 115291748

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid (CID 65451385) is 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid is O=C(NC1(C(=O)O)CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is DPLSRNLLHBWYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3/c13-12(14,15)8-3-1-7(2-4-8)9(17)16-11(5-6-11)10(18)19/h1-4H,5-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid?
1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 273.21 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65451385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).