2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

C12H19F3N2O3 — CID 79798190

IUPAC2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC1CCCC(C)N1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-7-5-4-6-8(2)17(7)10(20)16-11(3,9(18)19)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySQWLCTNUORYQOD-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.36
Rot. Bonds2

About 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid

2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (PubChem CID 79798190) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
PubChem CID79798190
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
SMILESCC1CCCC(C)N1C(=O)NC(C)(C(=O)O)C(F)(F)F
InChIInChI=1S/C12H19F3N2O3/c1-7-5-4-6-8(2)17(7)10(20)16-11(3,9(18)19)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,20)(H,18,19)
InChIKeySQWLCTNUORYQOD-UHFFFAOYSA-N
XLogP2.36
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid (CID 79798190) is 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is CC1CCCC(C)N1C(=O)NC(C)(C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
The InChIKey is SQWLCTNUORYQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-7-5-4-6-8(2)17(7)10(20)16-11(3,9(18)19)12(13,14)15/h7-8H,4-6H2,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid?
2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid is sourced from PubChem (CID 79798190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).