3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid

C15H17F3N2O4 — CID 122018290

IUPAC3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)11-4-2-1-3-10(11)12-7-9(21)8-20(12)14(24)19-6-5-13(22)23/h1-4,9,12,21H,5-8H2,(H,19,24)(H,22,23)
InChIKeyQJRLDXHJDXTTHP-UHFFFAOYSA-N
MW346.31 g/mol
LogP2.00
Rot. Bonds4

About 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid

3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid (PubChem CID 122018290) has the molecular formula C15H17F3N2O4 and a molecular weight of 346.31 g/mol. Its IUPAC name is 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid
PubChem CID122018290
Molecular FormulaC15H17F3N2O4
Molecular Weight346.31 g/mol
Exact Mass346.11
IUPAC Name3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F
InChIInChI=1S/C15H17F3N2O4/c16-15(17,18)11-4-2-1-3-10(11)12-7-9(21)8-20(12)14(24)19-6-5-13(22)23/h1-4,9,12,21H,5-8H2,(H,19,24)(H,22,23)
InChIKeyQJRLDXHJDXTTHP-UHFFFAOYSA-N
XLogP2.00
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-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-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid (CID 122018290) is 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid is O=C(O)CCNC(=O)N1CC(O)CC1c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
The InChIKey is QJRLDXHJDXTTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O4/c16-15(17,18)11-4-2-1-3-10(11)12-7-9(21)8-20(12)14(24)19-6-5-13(22)23/h1-4,9,12,21H,5-8H2,(H,19,24)(H,22,23).
What are the key properties of 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid?
3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid has a molecular weight of 346.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-2-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122018290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).