2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid

C11H19NO4 — CID 22054576

IUPAC2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1COC1CCCCO1
InChIInChI=1S/C11H19NO4/c13-11(14)12-6-3-4-9(12)8-16-10-5-1-2-7-15-10/h9-10H,1-8H2,(H,13,14)
InChIKeyIVNDIYDLJBYWML-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.67
Rot. Bonds3

About 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid

2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid (PubChem CID 22054576) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid
PubChem CID22054576
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1COC1CCCCO1
InChIInChI=1S/C11H19NO4/c13-11(14)12-6-3-4-9(12)8-16-10-5-1-2-7-15-10/h9-10H,1-8H2,(H,13,14)
InChIKeyIVNDIYDLJBYWML-UHFFFAOYSA-N
XLogP1.67
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid (CID 22054576) is 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1COC1CCCCO1.
What is the InChIKey of 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid?
The InChIKey is IVNDIYDLJBYWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-11(14)12-6-3-4-9(12)8-16-10-5-1-2-7-15-10/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid?
2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yloxymethyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22054576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).