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

C9H13F3N2O3 — CID 63710068

IUPAC3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)8(2-4-13-5-8)7(17)14-3-1-6(15)16/h13H,1-5H2,(H,14,17)(H,15,16)
InChIKeyKEFKBQJIQCIZSL-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.12
Rot. Bonds4

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

3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (PubChem CID 63710068) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
PubChem CID63710068
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)C1(C(F)(F)F)CCNC1
InChIInChI=1S/C9H13F3N2O3/c10-9(11,12)8(2-4-13-5-8)7(17)14-3-1-6(15)16/h13H,1-5H2,(H,14,17)(H,15,16)
InChIKeyKEFKBQJIQCIZSL-UHFFFAOYSA-N
XLogP0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
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 3-[[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 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid (CID 63710068) is 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)C1(C(F)(F)F)CCNC1.
What is the InChIKey of 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
The InChIKey is KEFKBQJIQCIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c10-9(11,12)8(2-4-13-5-8)7(17)14-3-1-6(15)16/h13H,1-5H2,(H,14,17)(H,15,16).
What are the key properties of 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid?
3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid has a molecular weight of 254.21 g/mol, XLogP of 0.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid is sourced from PubChem (CID 63710068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).