2-(1-methylpiperidin-2-yl)butanoic acid

C10H19NO2 — CID 54189369

IUPAC2-(1-methylpiperidin-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCCN1C
InChIInChI=1S/C10H19NO2/c1-3-8(10(12)13)9-6-4-5-7-11(9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyPHKGVWGGBWLYRF-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.58
Rot. Bonds3

About 2-(1-methylpiperidin-2-yl)butanoic acid

2-(1-methylpiperidin-2-yl)butanoic acid (PubChem CID 54189369) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)butanoic acid
PubChem CID54189369
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(1-methylpiperidin-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCCN1C
InChIInChI=1S/C10H19NO2/c1-3-8(10(12)13)9-6-4-5-7-11(9)2/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyPHKGVWGGBWLYRF-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)butanoic acid?
The IUPAC name of 2-(1-methylpiperidin-2-yl)butanoic acid (CID 54189369) is 2-(1-methylpiperidin-2-yl)butanoic acid.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)butanoic acid?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)butanoic acid is CCC(C(=O)O)C1CCCCN1C.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)butanoic acid?
The InChIKey is PHKGVWGGBWLYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-8(10(12)13)9-6-4-5-7-11(9)2/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-(1-methylpiperidin-2-yl)butanoic acid?
2-(1-methylpiperidin-2-yl)butanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)butanoic acid is sourced from PubChem (CID 54189369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).