2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid

C10H15F3N2O3 — CID 59870785

IUPAC2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCN1CCC(N(CC(=O)O)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-14-4-2-7(3-5-14)15(6-8(16)17)9(18)10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyAHRKPDGNYPPHLU-UHFFFAOYSA-N
MW268.23 g/mol
LogP0.56
Rot. Bonds3

About 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid

2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 59870785) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID59870785
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCN1CCC(N(CC(=O)O)C(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O3/c1-14-4-2-7(3-5-14)15(6-8(16)17)9(18)10(11,12)13/h7H,2-6H2,1H3,(H,16,17)
InChIKeyAHRKPDGNYPPHLU-UHFFFAOYSA-N
XLogP0.56
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 59870785) is 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid is CN1CCC(N(CC(=O)O)C(=O)C(F)(F)F)CC1.
What is the InChIKey of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is AHRKPDGNYPPHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-14-4-2-7(3-5-14)15(6-8(16)17)9(18)10(11,12)13/h7H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 268.23 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-4-yl)-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 59870785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).