2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid

C14H25F3N2O2 — CID 106806344

IUPAC2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
SMILESCCC(CCCN1CCCC(C(F)(F)F)C1)(NC)C(=O)O
InChIInChI=1S/C14H25F3N2O2/c1-3-13(18-2,12(20)21)7-5-9-19-8-4-6-11(10-19)14(15,16)17/h11,18H,3-10H2,1-2H3,(H,20,21)
InChIKeyJYENUSNMTBXVPQ-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.49
Rot. Bonds7

About 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid

2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid (PubChem CID 106806344) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
PubChem CID106806344
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC Name2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid
SMILESCCC(CCCN1CCCC(C(F)(F)F)C1)(NC)C(=O)O
InChIInChI=1S/C14H25F3N2O2/c1-3-13(18-2,12(20)21)7-5-9-19-8-4-6-11(10-19)14(15,16)17/h11,18H,3-10H2,1-2H3,(H,20,21)
InChIKeyJYENUSNMTBXVPQ-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid (CID 106806344) is 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid is CCC(CCCN1CCCC(C(F)(F)F)C1)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
The InChIKey is JYENUSNMTBXVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-3-13(18-2,12(20)21)7-5-9-19-8-4-6-11(10-19)14(15,16)17/h11,18H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid?
2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid has a molecular weight of 310.36 g/mol, XLogP of 2.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-[3-(trifluoromethyl)piperidin-1-yl]pentanoic acid is sourced from PubChem (CID 106806344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).