tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate

C12H23NO2 — CID 115666633

IUPACtert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate
SMILESCC1CCCN1CCC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10-6-5-8-13(10)9-7-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeySWPDJFODJQPFMK-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.20
Rot. Bonds3

About tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate

tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate (PubChem CID 115666633) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nametert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate
PubChem CID115666633
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate
SMILESCC1CCCN1CCC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10-6-5-8-13(10)9-7-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3
InChIKeySWPDJFODJQPFMK-UHFFFAOYSA-N
XLogP2.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate 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 tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The IUPAC name of tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate (CID 115666633) is tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The canonical SMILES for tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate is CC1CCCN1CCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate?
The InChIKey is SWPDJFODJQPFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10-6-5-8-13(10)9-7-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate?
tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate has a molecular weight of 213.32 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-methylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 115666633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).