4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid

C14H15F3N2O4 — CID 22369510

IUPAC4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
SMILESNC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-2-1-3-8(9)6-19-7-13(18,12(22)23)5-10(19)11(20)21/h1-4,10H,5-7,18H2,(H,20,21)(H,22,23)
InChIKeyCOPJMVFPQAUBOY-UHFFFAOYSA-N
MW332.28 g/mol
LogP1.15
Rot. Bonds4

About 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid

4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid (PubChem CID 22369510) has the molecular formula C14H15F3N2O4 and a molecular weight of 332.28 g/mol. Its IUPAC name is 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
PubChem CID22369510
Molecular FormulaC14H15F3N2O4
Molecular Weight332.28 g/mol
Exact Mass332.10
IUPAC Name4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid
SMILESNC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-2-1-3-8(9)6-19-7-13(18,12(22)23)5-10(19)11(20)21/h1-4,10H,5-7,18H2,(H,20,21)(H,22,23)
InChIKeyCOPJMVFPQAUBOY-UHFFFAOYSA-N
XLogP1.15
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic 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

1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 3958537
4-[[2-(trifluoromethyl)phenyl]methyl]thiomorpholine-3-carboxylic acid
CID 82905294
4-amino-1-(5-phenylpentyl)pyrrolidine-2,4-dicarboxylic acid
CID 22369490
3-amino-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 107325295
(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
CID 95146043
(2R,4R)-4-amino-1-[(3-nitrophenyl)methyl]pyrrolidine-2,4-dicarboxylic acid
CID 10385210
(2S)-1-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid;(2S)-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 158650976
4-amino-1-benzoylpyrrolidine-2,4-dicarboxylic acid
CID 22369538
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
methyl 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxylate
CID 115670698
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
ethyl (2R)-5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylate
CID 66644833

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
The IUPAC name of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid (CID 22369510) is 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid.
What is the SMILES notation for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
The canonical SMILES for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid is NC1(C(=O)O)CC(C(=O)O)N(Cc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
The InChIKey is COPJMVFPQAUBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O4/c15-14(16,17)9-4-2-1-3-8(9)6-19-7-13(18,12(22)23)5-10(19)11(20)21/h1-4,10H,5-7,18H2,(H,20,21)(H,22,23).
What are the key properties of 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid?
4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid has a molecular weight of 332.28 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2,4-dicarboxylic acid is sourced from PubChem (CID 22369510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).