2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

C12H19F3N2O3 — CID 79266286

IUPAC2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1C
InChIInChI=1S/C12H19F3N2O3/c1-8-4-3-5-17(9(8)2)11(20)16(6-10(18)19)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyKJKOQGCHDOKBFM-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.18
Rot. Bonds3

About 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266286) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266286
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1C
InChIInChI=1S/C12H19F3N2O3/c1-8-4-3-5-17(9(8)2)11(20)16(6-10(18)19)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,18,19)
InChIKeyKJKOQGCHDOKBFM-UHFFFAOYSA-N
XLogP2.18
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266286) is 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CCCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1C.
What is the InChIKey of 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is KJKOQGCHDOKBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-8-4-3-5-17(9(8)2)11(20)16(6-10(18)19)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,18,19).
What are the key properties of 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylpiperidine-1-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).