methyl 3-methylpyrrolidine-3-carboxylate

C7H13NO2 — CID 58201304

IUPACmethyl 3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCNC1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10-2)3-4-8-5-7/h8H,3-5H2,1-2H3
InChIKeyNDFMJADIWGFRLL-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.16
Rot. Bonds1

About methyl 3-methylpyrrolidine-3-carboxylate

methyl 3-methylpyrrolidine-3-carboxylate (PubChem CID 58201304) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is methyl 3-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-methylpyrrolidine-3-carboxylate
PubChem CID58201304
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Namemethyl 3-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1(C)CCNC1
InChIInChI=1S/C7H13NO2/c1-7(6(9)10-2)3-4-8-5-7/h8H,3-5H2,1-2H3
InChIKeyNDFMJADIWGFRLL-UHFFFAOYSA-N
XLogP0.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-methylpyrrolidine-3-carboxylate 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 methyl 3-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 3-methylpyrrolidine-3-carboxylate (CID 58201304) is methyl 3-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 3-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 3-methylpyrrolidine-3-carboxylate is COC(=O)C1(C)CCNC1.
What is the InChIKey of methyl 3-methylpyrrolidine-3-carboxylate?
The InChIKey is NDFMJADIWGFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-7(6(9)10-2)3-4-8-5-7/h8H,3-5H2,1-2H3.
What are the key properties of methyl 3-methylpyrrolidine-3-carboxylate?
methyl 3-methylpyrrolidine-3-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 58201304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).