(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

C16H18F3NO4 — CID 71125129

IUPAC(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)CC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H18F3NO4/c1-15(2)11(6-7-12(15)14(22)23)13(21)20-9-4-3-5-10(8-9)24-16(17,18)19/h3-5,8,11-12H,6-7H2,1-2H3,(H,20,21)(H,22,23)/t11-,12?/m1/s1
InChIKeyBXXXGNBJYGHFBK-JHJMLUEUSA-N
MW345.32 g/mol
LogP3.66
Rot. Bonds4

About (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid

(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 71125129) has the molecular formula C16H18F3NO4 and a molecular weight of 345.32 g/mol. Its IUPAC name is (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID71125129
Molecular FormulaC16H18F3NO4
Molecular Weight345.32 g/mol
Exact Mass345.12
IUPAC Name(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)CC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C16H18F3NO4/c1-15(2)11(6-7-12(15)14(22)23)13(21)20-9-4-3-5-10(8-9)24-16(17,18)19/h3-5,8,11-12H,6-7H2,1-2H3,(H,20,21)(H,22,23)/t11-,12?/m1/s1
InChIKeyBXXXGNBJYGHFBK-JHJMLUEUSA-N
XLogP3.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-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-[3-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 52560778
4-amino-N-[3-(trifluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 60848453
1-ethylsulfonyl-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
CID 38267925
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
(2R)-6-oxo-N-[3-(trifluoromethoxy)phenyl]piperazine-2-carboxamide
CID 142479947
(3S)-1-(2-methylpropanoyl)-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 51937786
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
1-benzyl-N-[3-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
CID 60563034
4-hydroxy-N-[3-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxamide
CID 43120856
3-oxo-2-propan-2-yl-N-[3-(trifluoromethoxy)phenyl]-2-azaspiro[3.4]octane-1-carboxamide
CID 91925463

Frequently Asked Questions

What is the IUPAC name of (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid (CID 71125129) is (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is CC1(C)C(C(=O)O)CC[C@@H]1C(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is BXXXGNBJYGHFBK-JHJMLUEUSA-N. The full InChI is InChI=1S/C16H18F3NO4/c1-15(2)11(6-7-12(15)14(22)23)13(21)20-9-4-3-5-10(8-9)24-16(17,18)19/h3-5,8,11-12H,6-7H2,1-2H3,(H,20,21)(H,22,23)/t11-,12?/m1/s1.
What are the key properties of (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid?
(3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 345.32 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,2-dimethyl-3-[[3-(trifluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 71125129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).