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

C12H19F3N2O3 — CID 79258002

IUPAC2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-11(3-5-16-6-4-11)10(20)17(7-9(18)19)8-12(13,14)15/h16H,2-8H2,1H3,(H,18,19)
InChIKeyGGDIUCCTRXDTFM-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.24
Rot. Bonds5

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

2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258002) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258002
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1
InChIInChI=1S/C12H19F3N2O3/c1-2-11(3-5-16-6-4-11)10(20)17(7-9(18)19)8-12(13,14)15/h16H,2-8H2,1H3,(H,18,19)
InChIKeyGGDIUCCTRXDTFM-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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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258002) is 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CCC1(C(=O)N(CC(=O)O)CC(F)(F)F)CCNCC1.
What is the InChIKey of 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is GGDIUCCTRXDTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-2-11(3-5-16-6-4-11)10(20)17(7-9(18)19)8-12(13,14)15/h16H,2-8H2,1H3,(H,18,19).
What are the key properties of 2-[(4-ethylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(4-ethylpiperidine-4-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-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).