3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid

C13H21NO4 — CID 107175667

IUPAC3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-4-3-5-9(8)11(15)14-10-6-18-7-13(10,2)12(16)17/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBRGHWIWPDQNPIJ-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.03
Rot. Bonds3

About 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid

3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 107175667) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
PubChem CID107175667
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid
SMILESCC1CCCC1C(=O)NC1COCC1(C)C(=O)O
InChIInChI=1S/C13H21NO4/c1-8-4-3-5-9(8)11(15)14-10-6-18-7-13(10,2)12(16)17/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyBRGHWIWPDQNPIJ-UHFFFAOYSA-N
XLogP1.03
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-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 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid (CID 107175667) is 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is CC1CCCC1C(=O)NC1COCC1(C)C(=O)O.
What is the InChIKey of 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is BRGHWIWPDQNPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-8-4-3-5-9(8)11(15)14-10-6-18-7-13(10,2)12(16)17/h8-10H,3-7H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid?
3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methylcyclopentanecarbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107175667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).