(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid

C14H13Cl2F3N2O4 — CID 59505108

IUPAC(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C14H13Cl2F3N2O4/c15-8-2-1-7(9(16)4-8)3-10(11(22)23)20-12(24)21-5-13(25,6-21)14(17,18)19/h1-2,4,10,25H,3,5-6H2,(H,20,24)(H,22,23)/t10-/m1/s1
InChIKeyGSGWEXOGBNDDBE-SNVBAGLBSA-N
MW401.17 g/mol
LogP2.31
Rot. Bonds4

About (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid

(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid (PubChem CID 59505108) has the molecular formula C14H13Cl2F3N2O4 and a molecular weight of 401.17 g/mol. Its IUPAC name is (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid
PubChem CID59505108
Molecular FormulaC14H13Cl2F3N2O4
Molecular Weight401.17 g/mol
Exact Mass400.02
IUPAC Name(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(O)(C(F)(F)F)C1
InChIInChI=1S/C14H13Cl2F3N2O4/c15-8-2-1-7(9(16)4-8)3-10(11(22)23)20-12(24)21-5-13(25,6-21)14(17,18)19/h1-2,4,10,25H,3,5-6H2,(H,20,24)(H,22,23)/t10-/m1/s1
InChIKeyGSGWEXOGBNDDBE-SNVBAGLBSA-N
XLogP2.31
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.17
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-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 (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid (CID 59505108) is (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid is O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)NC(=O)N1CC(O)(C(F)(F)F)C1.
What is the InChIKey of (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid?
The InChIKey is GSGWEXOGBNDDBE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H13Cl2F3N2O4/c15-8-2-1-7(9(16)4-8)3-10(11(22)23)20-12(24)21-5-13(25,6-21)14(17,18)19/h1-2,4,10,25H,3,5-6H2,(H,20,24)(H,22,23)/t10-/m1/s1.
What are the key properties of (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid?
(2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid has a molecular weight of 401.17 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-dichlorophenyl)-2-[[3-hydroxy-3-(trifluoromethyl)azetidine-1-carbonyl]amino]propanoic acid is sourced from PubChem (CID 59505108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).