2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid

C12H23NO2 — CID 43584692

IUPAC2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid
SMILESCCC1CCCN(C(C(=O)O)C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-10-6-5-7-13(8-10)11(9(2)3)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyIYVBRDDGKOLLEW-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid

2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid (PubChem CID 43584692) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid
PubChem CID43584692
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid
SMILESCCC1CCCN(C(C(=O)O)C(C)C)C1
InChIInChI=1S/C12H23NO2/c1-4-10-6-5-7-13(8-10)11(9(2)3)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15)
InChIKeyIYVBRDDGKOLLEW-UHFFFAOYSA-N
XLogP2.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid (CID 43584692) is 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid is CCC1CCCN(C(C(=O)O)C(C)C)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid?
The InChIKey is IYVBRDDGKOLLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10-6-5-7-13(8-10)11(9(2)3)12(14)15/h9-11H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid?
2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid has a molecular weight of 213.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylpiperidin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 43584692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).