2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C12H20F3N3O3 — CID 83018780

IUPAC2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H20F3N3O3/c1-8-4-3-5-9(2)18(8)16-11(21)17(6-10(19)20)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyNUEHNLKAMXLEMD-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.82
Rot. Bonds4

About 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 83018780) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID83018780
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC1CCCC(C)N1NC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C12H20F3N3O3/c1-8-4-3-5-9(2)18(8)16-11(21)17(6-10(19)20)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,16,21)(H,19,20)
InChIKeyNUEHNLKAMXLEMD-UHFFFAOYSA-N
XLogP1.82
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 83018780) is 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is CC1CCCC(C)N1NC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NUEHNLKAMXLEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-8-4-3-5-9(2)18(8)16-11(21)17(6-10(19)20)7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,16,21)(H,19,20).
What are the key properties of 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 311.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpiperidin-1-yl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 83018780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).