4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid

C12H19NO4 — CID 114450999

IUPAC4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid
SMILESCN1CCC(OC2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C12H19NO4/c1-13-7-6-10(11(13)14)17-9-4-2-8(3-5-9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyMVZRAEBBGYNNIW-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.88
Rot. Bonds3

About 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid

4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid (PubChem CID 114450999) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid
PubChem CID114450999
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid
SMILESCN1CCC(OC2CCC(C(=O)O)CC2)C1=O
InChIInChI=1S/C12H19NO4/c1-13-7-6-10(11(13)14)17-9-4-2-8(3-5-9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyMVZRAEBBGYNNIW-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-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 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid?
The IUPAC name of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid (CID 114450999) is 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid is CN1CCC(OC2CCC(C(=O)O)CC2)C1=O.
What is the InChIKey of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid?
The InChIKey is MVZRAEBBGYNNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-13-7-6-10(11(13)14)17-9-4-2-8(3-5-9)12(15)16/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid?
4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid has a molecular weight of 241.29 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2-oxopyrrolidin-3-yl)oxycyclohexane-1-carboxylic acid is sourced from PubChem (CID 114450999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).