3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid

C15H17F3N2O4 — CID 146425975

IUPAC3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1(NCc2ccc(C(F)(F)F)cc2)CCN(C(=O)O)C1
InChIInChI=1S/C15H17F3N2O4/c1-24-12(21)14(6-7-20(9-14)13(22)23)19-8-10-2-4-11(5-3-10)15(16,17)18/h2-5,19H,6-9H2,1H3,(H,22,23)
InChIKeyBDXHVHOZPAVRFM-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.09
Rot. Bonds4

About 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid

3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid (PubChem CID 146425975) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid
PubChem CID146425975
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid
SMILESCOC(=O)C1(NCc2ccc(C(F)(F)F)cc2)CCN(C(=O)O)C1
InChIInChI=1S/C15H17F3N2O4/c1-24-12(21)14(6-7-20(9-14)13(22)23)19-8-10-2-4-11(5-3-10)15(16,17)18/h2-5,19H,6-9H2,1H3,(H,22,23)
InChIKeyBDXHVHOZPAVRFM-UHFFFAOYSA-N
XLogP2.09
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-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

1-O-tert-butyl 3-O-methyl 3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1,3-dicarboxylate
CID 146435077
1-O-tert-butyl 3-O-ethyl 3-[[4-(trifluoromethyl)phenyl]methylamino]azetidine-1,3-dicarboxylate
CID 146425858
4-[[[3-methoxycarbonyl-3-(trifluoromethyl)pyrrolidine-1-carbonyl]amino]methyl]benzoic acid
CID 122020420
methyl 1-[[4-(hydroxymethyl)phenyl]methylamino]cyclopentane-1-carboxylate
CID 110009645
3-[[4-(trifluoromethyl)phenyl]methylamino]oxycarbonylpyrrolidine-1-carboxylic acid
CID 146425920
4-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-4-phenylpiperidine-1-carboxylic acid
CID 22240549
methyl 4-[(4-bromophenyl)methylamino]-1-phenylpiperidine-4-carboxylate
CID 138707390
ethyl 1-(5-cyano-2-pyridinyl)-3-[[4-(trifluoromethyl)phenyl]methylamino]azetidine-3-carboxylate
CID 146425482
N-methoxy-1-[4-(trifluoromethyl)phenyl]methanamine
CID 23499567
N-[[1-(methoxymethyl)cyclopentyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 91776931
2-chloroacetyl chloride;ethyl 1-[(2-chloroacetyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]cyclopropane-1-carboxylate;ethyl 1-[[4-(trifluoromethyl)phenyl]methylamino]cyclopropane-1-carboxylate
CID 161214776
3-methoxycarbonyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]piperidine-1-carboxylic acid
CID 122604946

Frequently Asked Questions

What is the IUPAC name of 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid (CID 146425975) is 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid is COC(=O)C1(NCc2ccc(C(F)(F)F)cc2)CCN(C(=O)O)C1.
What is the InChIKey of 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid?
The InChIKey is BDXHVHOZPAVRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c1-24-12(21)14(6-7-20(9-14)13(22)23)19-8-10-2-4-11(5-3-10)15(16,17)18/h2-5,19H,6-9H2,1H3,(H,22,23).
What are the key properties of 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid?
3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid has a molecular weight of 346.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxycarbonyl-3-[[4-(trifluoromethyl)phenyl]methylamino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146425975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).