3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid

C13H23NO3 — CID 55055939

IUPAC3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CCCN(CC2(C(=O)O)CCOC2)C1C
InChIInChI=1S/C13H23NO3/c1-10-4-3-6-14(11(10)2)8-13(12(15)16)5-7-17-9-13/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyQEZGKOLSHMLFTP-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.60
Rot. Bonds3

About 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid

3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid (PubChem CID 55055939) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid
PubChem CID55055939
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid
SMILESCC1CCCN(CC2(C(=O)O)CCOC2)C1C
InChIInChI=1S/C13H23NO3/c1-10-4-3-6-14(11(10)2)8-13(12(15)16)5-7-17-9-13/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyQEZGKOLSHMLFTP-UHFFFAOYSA-N
XLogP1.60
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid (CID 55055939) is 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid is CC1CCCN(CC2(C(=O)O)CCOC2)C1C.
What is the InChIKey of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
The InChIKey is QEZGKOLSHMLFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-4-3-6-14(11(10)2)8-13(12(15)16)5-7-17-9-13/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid?
3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylpiperidin-1-yl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 55055939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).