cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid

C12H16F3NO3 — CID 124833159

IUPACcis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)6-2-1-3-7(4-6)16-10(17)8-5-9(8)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)/t6-,7+,8+,9-/m1/s1
InChIKeyJIMYMPFKVLLXHQ-RYPBNFRJSA-N
MW279.26 g/mol
LogP1.94
Rot. Bonds3

About cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid

cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 124833159) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID124833159
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Namecis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1C(=O)O
InChIInChI=1S/C12H16F3NO3/c13-12(14,15)6-2-1-3-7(4-6)16-10(17)8-5-9(8)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)/t6-,7+,8+,9-/m1/s1
InChIKeyJIMYMPFKVLLXHQ-RYPBNFRJSA-N
XLogP1.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]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

N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]cyclobutanecarboxamide
CID 94606396
2-(cyclooctylcarbamoyl)cyclopropane-1-carboxylic acid
CID 4638930
3-[[(1S,3S)-3-(trifluoromethyl)cyclohexanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 129470119
4-tert-butyl-N-[3-(trifluoromethyl)cyclohexyl]cyclohexane-1-carboxamide
CID 55517058
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
2-[[2-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 54868352
N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]prop-2-enamide
CID 146109434
N-[3-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119701141
(3R)-N-[3-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 81124272
4-[[(1R,3S)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702556
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550
2-[(3-methylcyclopentyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114543550

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 124833159) is cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)[C@H]1C[C@H]1C(=O)O.
What is the InChIKey of cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JIMYMPFKVLLXHQ-RYPBNFRJSA-N. The full InChI is InChI=1S/C12H16F3NO3/c13-12(14,15)6-2-1-3-7(4-6)16-10(17)8-5-9(8)11(18)19/h6-9H,1-5H2,(H,16,17)(H,18,19)/t6-,7+,8+,9-/m1/s1.
What are the key properties of cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 279.26 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 cis-(1R,2S)-2-[[(1S,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124833159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).