(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid

C7H10F3NO2 — CID 131554192

IUPAC(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESCN1[C@@H](C(=O)O)CC[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-11-4(6(12)13)2-3-5(11)7(8,9)10/h4-5H,2-3H2,1H3,(H,12,13)/t4-,5+/m1/s1
InChIKeyVVQKPCAEXSSRTA-UHNVWZDZSA-N
MW197.16 g/mol
LogP1.10
Rot. Bonds1

About (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid

(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid (PubChem CID 131554192) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid
PubChem CID131554192
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC Name(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid
SMILESCN1[C@@H](C(=O)O)CC[C@H]1C(F)(F)F
InChIInChI=1S/C7H10F3NO2/c1-11-4(6(12)13)2-3-5(11)7(8,9)10/h4-5H,2-3H2,1H3,(H,12,13)/t4-,5+/m1/s1
InChIKeyVVQKPCAEXSSRTA-UHNVWZDZSA-N
XLogP1.10
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-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

(2R,5S)-5-acetyl-1-methylpyrrolidine-2-carboxylic acid
CID 58812271
1-methylpiperidine-2,6-dicarboxylic acid;hydrochloride
CID 141185672
1-(benzenesulfonyl)-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid
CID 167983555
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-2-carboxylic acid
CID 66471931
(3S,4R)-1-methyl-3-(trifluoromethyl)piperidine-4-carboxylic acid
CID 171400769
(2S,5R)-5-(2-hydroxypropan-2-yl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 101111979
(2S,5R)-1-tert-butyl-5-methylpyrrolidine-2-carboxylic acid
CID 67058366
(2R)-1-(2,2,2-trifluoroacetyl)azetidine-2-carboxylic acid
CID 45080923
(2S)-1-(2,2-dimethylpropanoyl)azetidine-2-carboxylic acid
CID 130184716
(2S,6S)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844959
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
(2R,6R)-1-propan-2-ylpiperidine-2,6-dicarboxylic acid
CID 124844957

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid (CID 131554192) is (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid is CN1[C@@H](C(=O)O)CC[C@H]1C(F)(F)F.
What is the InChIKey of (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VVQKPCAEXSSRTA-UHNVWZDZSA-N. The full InChI is InChI=1S/C7H10F3NO2/c1-11-4(6(12)13)2-3-5(11)7(8,9)10/h4-5H,2-3H2,1H3,(H,12,13)/t4-,5+/m1/s1.
What are the key properties of (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid?
(2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-methyl-5-(trifluoromethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 131554192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).