2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 81116489

IUPAC2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(O)CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O4/c1-10(20)2-4-15(5-3-10)9(19)16(6-8(17)18)7-11(12,13)14/h20H,2-7H2,1H3,(H,17,18)
InChIKeyOGKHCIRHZXPQPO-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.90
Rot. Bonds3

About 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 81116489) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID81116489
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1(O)CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N2O4/c1-10(20)2-4-15(5-3-10)9(19)16(6-8(17)18)7-11(12,13)14/h20H,2-7H2,1H3,(H,17,18)
InChIKeyOGKHCIRHZXPQPO-UHFFFAOYSA-N
XLogP0.90
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(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-[azepane-1-carbonyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258890
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
2-[2,2,2-trifluoroethyl-(3,3,4-trimethylpiperazine-1-carbonyl)amino]acetic acid
CID 79264645
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[carboxymethyl-(4,4-diethylpiperidine-1-carbonyl)amino]acetic acid
CID 63646841
2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266286
2-[carboxymethyl-(7,7-dimethyl-1,4-thiazepane-4-carbonyl)amino]acetic acid
CID 107457557
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172
2-[[2-(hydroxymethyl)morpholine-4-carbonyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81204721
2-[(4,4-dimethylpiperidine-1-carbonyl)-prop-2-ynylamino]acetic acid
CID 79283292
2-[(1-acetylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265267
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 81116489) is 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1(O)CCN(C(=O)N(CC(=O)O)CC(F)(F)F)CC1.
What is the InChIKey of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is OGKHCIRHZXPQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-10(20)2-4-15(5-3-10)9(19)16(6-8(17)18)7-11(12,13)14/h20H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 81116489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).