2-(3,5-dimethylpiperidin-1-yl)propanoic acid

C10H19NO2 — CID 20985542

IUPAC2-(3,5-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1CC(C)CN(C(C)C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7-4-8(2)6-11(5-7)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyYNLZNXGLZDYWPC-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.44
Rot. Bonds2

About 2-(3,5-dimethylpiperidin-1-yl)propanoic acid

2-(3,5-dimethylpiperidin-1-yl)propanoic acid (PubChem CID 20985542) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(3,5-dimethylpiperidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(3,5-dimethylpiperidin-1-yl)propanoic acid
PubChem CID20985542
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(3,5-dimethylpiperidin-1-yl)propanoic acid
SMILESCC1CC(C)CN(C(C)C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7-4-8(2)6-11(5-7)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13)
InChIKeyYNLZNXGLZDYWPC-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)propanoic acid?
The IUPAC name of 2-(3,5-dimethylpiperidin-1-yl)propanoic acid (CID 20985542) is 2-(3,5-dimethylpiperidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(3,5-dimethylpiperidin-1-yl)propanoic acid?
The canonical SMILES for 2-(3,5-dimethylpiperidin-1-yl)propanoic acid is CC1CC(C)CN(C(C)C(=O)O)C1.
What is the InChIKey of 2-(3,5-dimethylpiperidin-1-yl)propanoic acid?
The InChIKey is YNLZNXGLZDYWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7-4-8(2)6-11(5-7)9(3)10(12)13/h7-9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-(3,5-dimethylpiperidin-1-yl)propanoic acid?
2-(3,5-dimethylpiperidin-1-yl)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpiperidin-1-yl)propanoic acid is sourced from PubChem (CID 20985542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).