2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid

C12H20N2O3 — CID 79370825

IUPAC2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)CC1CCNC1
InChIInChI=1S/C12H20N2O3/c1-8-10(12(16)17)3-5-14(8)11(15)6-9-2-4-13-7-9/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyWOZUXFUPHQQQDT-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.31
Rot. Bonds3

About 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid

2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid (PubChem CID 79370825) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
PubChem CID79370825
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)CC1CCNC1
InChIInChI=1S/C12H20N2O3/c1-8-10(12(16)17)3-5-14(8)11(15)6-9-2-4-13-7-9/h8-10,13H,2-7H2,1H3,(H,16,17)
InChIKeyWOZUXFUPHQQQDT-UHFFFAOYSA-N
XLogP0.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-(2-pyrrolidin-3-ylacetyl)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 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid (CID 79370825) is 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)CC1CCNC1.
What is the InChIKey of 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WOZUXFUPHQQQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8-10(12(16)17)3-5-14(8)11(15)6-9-2-4-13-7-9/h8-10,13H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid has a molecular weight of 240.30 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-pyrrolidin-3-ylacetyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79370825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).