(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

C13H19F3N2O4 — CID 124685172

IUPAC(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O4/c1-3-12(2,5-10(20)21)17-11(22)8-4-9(19)18(6-8)7-13(14,15)16/h8H,3-7H2,1-2H3,(H,17,22)(H,20,21)/t8-,12-/m1/s1
InChIKeyBHPQCURQDAASIP-PRHODGIISA-N
MW324.30 g/mol
LogP1.16
Rot. Bonds6

About (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid

(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (PubChem CID 124685172) has the molecular formula C13H19F3N2O4 and a molecular weight of 324.30 g/mol. Its IUPAC name is (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
PubChem CID124685172
Molecular FormulaC13H19F3N2O4
Molecular Weight324.30 g/mol
Exact Mass324.13
IUPAC Name(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
SMILESCC[C@](C)(CC(=O)O)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C13H19F3N2O4/c1-3-12(2,5-10(20)21)17-11(22)8-4-9(19)18(6-8)7-13(14,15)16/h8H,3-7H2,1-2H3,(H,17,22)(H,20,21)/t8-,12-/m1/s1
InChIKeyBHPQCURQDAASIP-PRHODGIISA-N
XLogP1.16
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-(1-hydroxy-3-methylpentan-3-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103945562
N-(3-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115884600
N-(4-hydroxy-2-methylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 115968687
(3S)-5-oxo-N-(2-phenylpropan-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130133
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119608405
4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]butanoic acid
CID 43170784
(2R)-2-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid
CID 107562754
N-[(2R)-1-hydroxybutan-2-yl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103920300
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392
4-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148865
4-[[(3S)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 125148866

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The IUPAC name of (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid (CID 124685172) is (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid.
What is the SMILES notation for (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The canonical SMILES for (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is CC[C@](C)(CC(=O)O)NC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
The InChIKey is BHPQCURQDAASIP-PRHODGIISA-N. The full InChI is InChI=1S/C13H19F3N2O4/c1-3-12(2,5-10(20)21)17-11(22)8-4-9(19)18(6-8)7-13(14,15)16/h8H,3-7H2,1-2H3,(H,17,22)(H,20,21)/t8-,12-/m1/s1.
What are the key properties of (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid?
(3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid has a molecular weight of 324.30 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 124685172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).