2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid

C13H23NO3 — CID 65161676

IUPAC2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1CCCC1CCCO1
InChIInChI=1S/C13H23NO3/c1-13(12(15)16)7-4-9-14(13)8-2-5-11-6-3-10-17-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyHDZAAGSDHAANSZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.88
Rot. Bonds5

About 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid

2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid (PubChem CID 65161676) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
PubChem CID65161676
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1CCCC1CCCO1
InChIInChI=1S/C13H23NO3/c1-13(12(15)16)7-4-9-14(13)8-2-5-11-6-3-10-17-11/h11H,2-10H2,1H3,(H,15,16)
InChIKeyHDZAAGSDHAANSZ-UHFFFAOYSA-N
XLogP1.88
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-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 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid (CID 65161676) is 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1CCCC1CCCO1.
What is the InChIKey of 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
The InChIKey is HDZAAGSDHAANSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-13(12(15)16)7-4-9-14(13)8-2-5-11-6-3-10-17-11/h11H,2-10H2,1H3,(H,15,16).
What are the key properties of 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid?
2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid has a molecular weight of 241.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65161676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).