3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid

C9H15F3N2O2 — CID 107324867

IUPAC3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-4-14-5-3-8(13,6-14)7(15)16/h1-6,13H2,(H,15,16)
InChIKeyRUWVMWRCLBNCSJ-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.82
Rot. Bonds4

About 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid

3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid (PubChem CID 107324867) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
PubChem CID107324867
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CCCC(F)(F)F)C1
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-4-14-5-3-8(13,6-14)7(15)16/h1-6,13H2,(H,15,16)
InChIKeyRUWVMWRCLBNCSJ-UHFFFAOYSA-N
XLogP0.82
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-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

3-amino-1-(3-fluoropropyl)pyrrolidine-3-carboxylic acid
CID 107324864
3-amino-1-octylpyrrolidine-3-carboxylic acid
CID 107321089
3-amino-1-(3-hydroxy-3-methylbutyl)pyrrolidine-3-carboxylic acid
CID 107324778
3-amino-1-(4-cyanobutyl)pyrrolidine-3-carboxylic acid
CID 107324753
3-amino-1-(3-ethylsulfanylpropyl)pyrrolidine-3-carboxylic acid
CID 107320794
3-amino-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 107324696
3-amino-1-(4-phenylbutyl)pyrrolidine-3-carboxylic acid
CID 107325026
3-amino-1-butylpiperidine-3-carboxylic acid
CID 117011811
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidine-3-carboxylic acid
CID 64566531
4-amino-1-pentylpiperidine-4-carboxylic acid
CID 117011769
3-amino-1-(3-phosphonopropyl)piperidine-3-carboxylic acid
CID 139615841
3-amino-1-(3,3-diethoxypropyl)pyrrolidine-3-carboxylic acid
CID 107324313

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid (CID 107324867) is 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CCCC(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid?
The InChIKey is RUWVMWRCLBNCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)2-1-4-14-5-3-8(13,6-14)7(15)16/h1-6,13H2,(H,15,16).
What are the key properties of 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid?
3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.22 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4,4,4-trifluorobutyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).