4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid

C10H15F3N2O3 — CID 63719841

IUPAC4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CC(=O)NCC(F)(F)F)CC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-6-2-15(3-7(6)9(17)18)4-8(16)14-5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyJHRKOAFHGCQVPM-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.32
Rot. Bonds4

About 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid

4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63719841) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID63719841
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESCC1CN(CC(=O)NCC(F)(F)F)CC1C(=O)O
InChIInChI=1S/C10H15F3N2O3/c1-6-2-15(3-7(6)9(17)18)4-8(16)14-5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18)
InChIKeyJHRKOAFHGCQVPM-UHFFFAOYSA-N
XLogP0.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic 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,4S)-4-[2-(dimethylamino)ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 46201147
(2S,3S)-2-methyl-1-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-methyl-ethyl]amino]acetyl]pyrrolidine-3-carboxylic acid
CID 122513387
2,2-dimethyl-1-[2-oxo-2-[[(1R)-2,2,2-trifluoro-1-methyl-ethyl]amino]acetyl]pyrrolidine-3-carboxylic acid
CID 122513389
(2S,3S)-2-methyl-1-[2-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]acetyl]pyrrolidine-3-carboxylic acid
CID 134305228
(2S,3S)-2-methyl-1-[2-(1,1,1-trifluoropropan-2-ylamino)acetyl]pyrrolidine-3-carboxylic acid
CID 134305229
Tfa-N(Pr)Aib-N(Me)Val-Asp-pyrrolidide
CID 164109619
(3S)-3-(methylamino)-4-oxo-4-(3,3,4,4-tetrafluoropyrrolidin-1-yl)butanoic acid
CID 167327463
Tfa-N(Me)Iva-DL-N(Me)Val-Asp-pyrrolidide
CID 169597118
Tfa-N(Me)Iva-N(Me)Val-Asp-pyrrolidide
CID 169597119
Tfa-N(Et)Aib-N(Me)Val-Asp-pyrrolidide
CID 169597127
Tfa-N(Et)Aib-DL-N(Me)Val-Asp-pyrrolidide
CID 169597129
Tfa-N(Me)Aib-N(Me)Val-Asp-pyrrolidide
CID 169597149

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 63719841) is 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid is CC1CN(CC(=O)NCC(F)(F)F)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is JHRKOAFHGCQVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-6-2-15(3-7(6)9(17)18)4-8(16)14-5-10(11,12)13/h6-7H,2-5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid?
4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63719841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).