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

C11H19NO3 — CID 83079866

IUPAC2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CC2CCCCO2)CCCN1
InChIInChI=1S/C11H19NO3/c13-10(14)11(5-3-6-12-11)8-9-4-1-2-7-15-9/h9,12H,1-8H2,(H,13,14)
InChIKeyWOIUJDCGNJVEDU-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.15
Rot. Bonds3

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

2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid (PubChem CID 83079866) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid
PubChem CID83079866
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(CC2CCCCO2)CCCN1
InChIInChI=1S/C11H19NO3/c13-10(14)11(5-3-6-12-11)8-9-4-1-2-7-15-9/h9,12H,1-8H2,(H,13,14)
InChIKeyWOIUJDCGNJVEDU-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid (CID 83079866) is 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(CC2CCCCO2)CCCN1.
What is the InChIKey of 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WOIUJDCGNJVEDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)11(5-3-6-12-11)8-9-4-1-2-7-15-9/h9,12H,1-8H2,(H,13,14).
What are the key properties of 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid?
2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83079866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).