(1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate

C10H19NO2 — CID 21338865

IUPAC(1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate
SMILESCN1CCC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)9(12)13-8-5-6-11(4)7-8/h8H,5-7H2,1-4H3
InChIKeyHSEXXKLJLKQLQT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.28
Rot. Bonds1

About (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate

(1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate (PubChem CID 21338865) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate
PubChem CID21338865
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate
SMILESCN1CCC(OC(=O)C(C)(C)C)C1
InChIInChI=1S/C10H19NO2/c1-10(2,3)9(12)13-8-5-6-11(4)7-8/h8H,5-7H2,1-4H3
InChIKeyHSEXXKLJLKQLQT-UHFFFAOYSA-N
XLogP1.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate 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-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate?
The IUPAC name of (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate (CID 21338865) is (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate is CN1CCC(OC(=O)C(C)(C)C)C1.
What is the InChIKey of (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate?
The InChIKey is HSEXXKLJLKQLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-10(2,3)9(12)13-8-5-6-11(4)7-8/h8H,5-7H2,1-4H3.
What are the key properties of (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate?
(1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate has a molecular weight of 185.27 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrolidin-3-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 21338865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).