2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

C9H13F3N2O3 — CID 55227463

IUPAC2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1(C(F)(F)F)CCNC1)C(=O)O
InChIInChI=1S/C9H13F3N2O3/c1-5(6(15)16)14-7(17)8(9(10,11)12)2-3-13-4-8/h5,13H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyJGGWYMBTCFHADK-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.12
Rot. Bonds3

About 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid

2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 55227463) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID55227463
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESCC(NC(=O)C1(C(F)(F)F)CCNC1)C(=O)O
InChIInChI=1S/C9H13F3N2O3/c1-5(6(15)16)14-7(17)8(9(10,11)12)2-3-13-4-8/h5,13H,2-4H2,1H3,(H,14,17)(H,15,16)
InChIKeyJGGWYMBTCFHADK-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 55227463) is 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is CC(NC(=O)C1(C(F)(F)F)CCNC1)C(=O)O.
What is the InChIKey of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is JGGWYMBTCFHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-5(6(15)16)14-7(17)8(9(10,11)12)2-3-13-4-8/h5,13H,2-4H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 254.21 g/mol, XLogP of 0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 55227463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).