3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid

C12H15NO3 — CID 79424949

IUPAC3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid
SMILESCc1cccc(CC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C12H15NO3/c1-9-3-2-4-10(13-9)7-12(11(14)15)5-6-16-8-12/h2-4H,5-8H2,1H3,(H,14,15)
InChIKeyZHSMKUSVYBGJTP-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.42
Rot. Bonds3

About 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid

3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid (PubChem CID 79424949) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid
PubChem CID79424949
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid
SMILESCc1cccc(CC2(C(=O)O)CCOC2)n1
InChIInChI=1S/C12H15NO3/c1-9-3-2-4-10(13-9)7-12(11(14)15)5-6-16-8-12/h2-4H,5-8H2,1H3,(H,14,15)
InChIKeyZHSMKUSVYBGJTP-UHFFFAOYSA-N
XLogP1.42
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid?
The IUPAC name of 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid (CID 79424949) is 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid?
The canonical SMILES for 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid is Cc1cccc(CC2(C(=O)O)CCOC2)n1.
What is the InChIKey of 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid?
The InChIKey is ZHSMKUSVYBGJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-9-3-2-4-10(13-9)7-12(11(14)15)5-6-16-8-12/h2-4H,5-8H2,1H3,(H,14,15).
What are the key properties of 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid?
3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-methyl-2-pyridinyl)methyl]oxolane-3-carboxylic acid is sourced from PubChem (CID 79424949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).