2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H19F3N2O3 — CID 114429250

IUPAC2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1CCNC(C(=O)N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-2-8-3-4-16-9(5-8)11(20)17(6-10(18)19)7-12(13,14)15/h8-9,16H,2-7H2,1H3,(H,18,19)
InChIKeyWTZVMAVTIMDKGB-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.24
Rot. Bonds5

About 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 114429250) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID114429250
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1CCNC(C(=O)N(CC(=O)O)CC(F)(F)F)C1
InChIInChI=1S/C12H19F3N2O3/c1-2-8-3-4-16-9(5-8)11(20)17(6-10(18)19)7-12(13,14)15/h8-9,16H,2-7H2,1H3,(H,18,19)
InChIKeyWTZVMAVTIMDKGB-UHFFFAOYSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropylmethyl-(4-ethylpiperidine-2-carbonyl)amino]acetic acid
CID 114428663
4-ethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428482
N-(1-cyclopropylethyl)-4-ethyl-N-(2,2,2-trifluoroethyl)piperidine-2-carboxamide
CID 114428415
N,N-dibutyl-4-ethylpiperidine-2-carboxamide
CID 114428005
N,4-diethyl-N-prop-2-ynylpiperidine-2-carboxamide
CID 114429394
4-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)piperidine-2-carboxamide
CID 114427893
2-[(4-ethylcyclohexyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263936
2-[propyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869567
2-[(3-ethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258042
N-butan-2-yl-N,4-diethylpiperidine-2-carboxamide
CID 114428039
N,4-diethyl-N-(oxolan-3-ylmethyl)piperidine-2-carboxamide
CID 114428566
3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
CID 114429130

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 114429250) is 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCC1CCNC(C(=O)N(CC(=O)O)CC(F)(F)F)C1.
What is the InChIKey of 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is WTZVMAVTIMDKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-8-3-4-16-9(5-8)11(20)17(6-10(18)19)7-12(13,14)15/h8-9,16H,2-7H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperidine-2-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 114429250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).