5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid

C13H23NO3 — CID 114624048

IUPAC5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(C2CCC(C(=O)O)N2)C(C)(C)O1
InChIInChI=1S/C13H23NO3/c1-12(2)7-8(13(3,4)17-12)9-5-6-10(14-9)11(15)16/h8-10,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyIYOKBINFHSWTKB-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds2

About 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid

5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid (PubChem CID 114624048) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
PubChem CID114624048
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid
SMILESCC1(C)CC(C2CCC(C(=O)O)N2)C(C)(C)O1
InChIInChI=1S/C13H23NO3/c1-12(2)7-8(13(3,4)17-12)9-5-6-10(14-9)11(15)16/h8-10,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyIYOKBINFHSWTKB-UHFFFAOYSA-N
XLogP1.79
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid (CID 114624048) is 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid is CC1(C)CC(C2CCC(C(=O)O)N2)C(C)(C)O1.
What is the InChIKey of 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is IYOKBINFHSWTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-12(2)7-8(13(3,4)17-12)9-5-6-10(14-9)11(15)16/h8-10,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid?
5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,5,5-tetramethyloxolan-3-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114624048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).