1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

C11H18N2O3 — CID 42656792

IUPAC1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C11H18N2O3/c1-12-4-2-9(3-5-12)13-7-8(11(15)16)6-10(13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyLZJMUYUITFSCJC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.01
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 42656792) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID42656792
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCN1CCC(N2CC(C(=O)O)CC2=O)CC1
InChIInChI=1S/C11H18N2O3/c1-12-4-2-9(3-5-12)13-7-8(11(15)16)6-10(13)14/h8-9H,2-7H2,1H3,(H,15,16)
InChIKeyLZJMUYUITFSCJC-UHFFFAOYSA-N
XLogP0.01
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-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 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 42656792) is 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is CN1CCC(N2CC(C(=O)O)CC2=O)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is LZJMUYUITFSCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-12-4-2-9(3-5-12)13-7-8(11(15)16)6-10(13)14/h8-9H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 226.28 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 42656792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).