1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid

C11H19NO3 — CID 63033064

IUPAC1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC2CCCCO2)C1
InChIInChI=1S/C11H19NO3/c13-11(14)9-4-5-12(7-9)8-10-3-1-2-6-15-10/h9-10H,1-8H2,(H,13,14)
InChIKeyWJKPCNJHMDJGGJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds3

About 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid

1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid (PubChem CID 63033064) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid
PubChem CID63033064
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(CC2CCCCO2)C1
InChIInChI=1S/C11H19NO3/c13-11(14)9-4-5-12(7-9)8-10-3-1-2-6-15-10/h9-10H,1-8H2,(H,13,14)
InChIKeyWJKPCNJHMDJGGJ-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(oxan-2-ylmethyl)pyrrolidine-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 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid (CID 63033064) is 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(CC2CCCCO2)C1.
What is the InChIKey of 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WJKPCNJHMDJGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-11(14)9-4-5-12(7-9)8-10-3-1-2-6-15-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid?
1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63033064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).