2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

C9H13F3N2O3 — CID 79257796

IUPAC2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CCC(N(CC(=O)O)CC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O3/c1-13-3-2-6(8(13)17)14(4-7(15)16)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyFREXYVWGAWDERV-UHFFFAOYSA-N
MW254.21 g/mol
LogP0.17
Rot. Bonds4

About 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79257796) has the molecular formula C9H13F3N2O3 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79257796
Molecular FormulaC9H13F3N2O3
Molecular Weight254.21 g/mol
Exact Mass254.09
IUPAC Name2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN1CCC(N(CC(=O)O)CC(F)(F)F)C1=O
InChIInChI=1S/C9H13F3N2O3/c1-13-3-2-6(8(13)17)14(4-7(15)16)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16)
InChIKeyFREXYVWGAWDERV-UHFFFAOYSA-N
XLogP0.17
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic 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

3-(Dimethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623575
2-[(2,2,2-trifluoroacetyl)-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492151
2-[2,2-difluoropropanoyl-[(3R)-1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 59492161
2-(2-Oxopyrrolidin-1-yl)propanamide;2,2,2-trifluoroacetic acid
CID 69056112
(2S)-2-(dimethylcarbamoyl)-4,4-difluoropyrrolidine-1-carboxylic acid
CID 69300234
2-[(2,2,2-Trifluoroacetyl)-[1-(2,2,2-trifluoroacetyl)pyrrolidin-3-yl]amino]acetic acid
CID 72306391
3-[Ethyl(2-hydroxyethyl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 60296308
2-[[5-Oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-propan-2-ylamino]acetic acid
CID 60831352
2-[Methyl-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 62626032
2-[Propan-2-yl(4,4,4-trifluorobutanoyl)amino]acetic acid
CID 65710280
2-[[1-(Dimethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257705
2-[[1-(Diethylamino)-1-oxopropan-2-yl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257778

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79257796) is 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is CN1CCC(N(CC(=O)O)CC(F)(F)F)C1=O.
What is the InChIKey of 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FREXYVWGAWDERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3/c1-13-3-2-6(8(13)17)14(4-7(15)16)5-9(10,11)12/h6H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 254.21 g/mol, XLogP of 0.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2-oxopyrrolidin-3-yl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79257796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).