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

C11H21NO2 — CID 43809019

IUPAC2-(3-ethylpiperidin-1-yl)butanoic acid
SMILESCCC1CCCN(C(CC)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-9-6-5-7-12(8-9)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyJCMRYUAGIVUOHY-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.97
Rot. Bonds4

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

2-(3-ethylpiperidin-1-yl)butanoic acid (PubChem CID 43809019) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(3-ethylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-ethylpiperidin-1-yl)butanoic acid
PubChem CID43809019
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-(3-ethylpiperidin-1-yl)butanoic acid
SMILESCCC1CCCN(C(CC)C(=O)O)C1
InChIInChI=1S/C11H21NO2/c1-3-9-6-5-7-12(8-9)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyJCMRYUAGIVUOHY-UHFFFAOYSA-N
XLogP1.97
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-(3-ethylpiperidin-1-yl)butanoic acid (CID 43809019) is 2-(3-ethylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-ethylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-(3-ethylpiperidin-1-yl)butanoic acid is CCC1CCCN(C(CC)C(=O)O)C1.
What is the InChIKey of 2-(3-ethylpiperidin-1-yl)butanoic acid?
The InChIKey is JCMRYUAGIVUOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9-6-5-7-12(8-9)10(4-2)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(3-ethylpiperidin-1-yl)butanoic acid?
2-(3-ethylpiperidin-1-yl)butanoic acid has a molecular weight of 199.29 g/mol, XLogP of 1.97, 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)butanoic acid is sourced from PubChem (CID 43809019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).