3-(2,6-dimethylpiperidin-1-yl)propanoic acid

C10H19NO2 — CID 19900448

IUPAC3-(2,6-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1CCCC(C)N1CCC(=O)O
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-9(2)11(8)7-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyKLFBXOOZFAFSOP-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.72
Rot. Bonds3

About 3-(2,6-dimethylpiperidin-1-yl)propanoic acid

3-(2,6-dimethylpiperidin-1-yl)propanoic acid (PubChem CID 19900448) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(2,6-dimethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,6-dimethylpiperidin-1-yl)propanoic acid
PubChem CID19900448
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(2,6-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1CCCC(C)N1CCC(=O)O
InChIInChI=1S/C10H19NO2/c1-8-4-3-5-9(2)11(8)7-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13)
InChIKeyKLFBXOOZFAFSOP-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 3-(2,6-dimethylpiperidin-1-yl)propanoic acid (CID 19900448) is 3-(2,6-dimethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 3-(2,6-dimethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 3-(2,6-dimethylpiperidin-1-yl)propanoic acid is CC1CCCC(C)N1CCC(=O)O.
What is the InChIKey of 3-(2,6-dimethylpiperidin-1-yl)propanoic acid?
The InChIKey is KLFBXOOZFAFSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8-4-3-5-9(2)11(8)7-6-10(12)13/h8-9H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 3-(2,6-dimethylpiperidin-1-yl)propanoic acid?
3-(2,6-dimethylpiperidin-1-yl)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 19900448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).