2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid

C17H19F3N2O4 — CID 119253907

IUPAC2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)cc1
InChIInChI=1S/C17H19F3N2O4/c1-16(2,15(25)26)11-3-5-12(6-4-11)21-14(24)10-7-13(23)22(8-10)9-17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyGTCKRJXFFDZJBD-UHFFFAOYSA-N
MW372.34 g/mol
LogP2.40
Rot. Bonds5

About 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid

2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid (PubChem CID 119253907) has the molecular formula C17H19F3N2O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
PubChem CID119253907
Molecular FormulaC17H19F3N2O4
Molecular Weight372.34 g/mol
Exact Mass372.13
IUPAC Name2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
SMILESCC(C)(C(=O)O)c1ccc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)cc1
InChIInChI=1S/C17H19F3N2O4/c1-16(2,15(25)26)11-3-5-12(6-4-11)21-14(24)10-7-13(23)22(8-10)9-17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,24)(H,25,26)
InChIKeyGTCKRJXFFDZJBD-UHFFFAOYSA-N
XLogP2.40
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]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

Related Compounds

(3R)-N-[4-(2-amino-2-oxoethyl)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 31862001
N-(4-bromo-3-methylphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55604591
ethyl (E)-3-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]prop-2-enoate
CID 55607918
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
N-[4-(3-amino-3-oxopropoxy)phenyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55839861
N-(3-amino-4-methoxyphenyl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119420226
(3S)-N-(1H-indol-5-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95625398
5-oxo-N-[4-(1,3,4-thiadiazol-2-ylsulfanyl)phenyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 60549611
5-oxo-N-[(E)-3-phenylprop-2-enyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 75407299
N-(4-tert-butylphenyl)-1-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 113183459
N-dibenzofuran-3-yl-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 55693346
tert-butyl N-methyl-N-[[3-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]methyl]carbamate
CID 55850560

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid (CID 119253907) is 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid is CC(C)(C(=O)O)c1ccc(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)cc1.
What is the InChIKey of 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is GTCKRJXFFDZJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O4/c1-16(2,15(25)26)11-3-5-12(6-4-11)21-14(24)10-7-13(23)22(8-10)9-17(18,19)20/h3-6,10H,7-9H2,1-2H3,(H,21,24)(H,25,26).
What are the key properties of 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 372.34 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 119253907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).