2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C12H19F3N2O3 — CID 79265642

IUPAC2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCCCN1C(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-9-4-2-3-5-17(9)10(18)6-16(7-11(19)20)8-12(13,14)15/h9H,2-8H2,1H3,(H,19,20)
InChIKeyVTTOZGPMJXECGB-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.34
Rot. Bonds5

About 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79265642) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79265642
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCCCN1C(=O)CN(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-9-4-2-3-5-17(9)10(18)6-16(7-11(19)20)8-12(13,14)15/h9H,2-8H2,1H3,(H,19,20)
InChIKeyVTTOZGPMJXECGB-UHFFFAOYSA-N
XLogP1.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(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

2-[(1-Methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 59870785
N'-cyclohexyl-N'-methyloxamide;2,2,2-trifluoroacetic acid
CID 68634217
2-[4-[[(4S)-4-fluoro-1-propanoylpyrrolidin-2-yl]methyl]piperazin-1-yl]acetic acid
CID 71207211
(3R)-3-methyl-5-oxo-4-[(2R)-1,1,1-trifluoropropan-2-yl]piperazine-1-carboxylic acid
CID 130430276
2-[(5,5-Difluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 139341669
2-[(5,5-Difluoro-1-propylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 142350448
(3S)-3-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]piperidine-1-carboxylic acid
CID 146572178
(2R)-2-[[methyl-(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylic acid
CID 150217634
2-[[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 151573857
2-[(5-Fluoro-1-propan-2-ylpiperidin-2-yl)methyl-methylamino]acetic acid
CID 153412245
2-[(1-Tert-butyl-5-fluoropiperidin-2-yl)methyl-methylamino]acetic acid
CID 154623203
2-[(2R)-2-methyl-5-[propan-2-yloxy-(2,2,2-trifluoroacetyl)amino]piperidin-1-yl]acetic acid
CID 156834584

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79265642) is 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CCCCN1C(=O)CN(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is VTTOZGPMJXECGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-9-4-2-3-5-17(9)10(18)6-16(7-11(19)20)8-12(13,14)15/h9H,2-8H2,1H3,(H,19,20).
What are the key properties of 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79265642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).