methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

C8H15NO3 — CID 102738593

IUPACmethyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(C)C1CO
InChIInChI=1S/C8H15NO3/c1-6-3-4-9(7(6)5-10)8(11)12-2/h6-7,10H,3-5H2,1-2H3
InChIKeyABWLUICQKNYICZ-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.46
Rot. Bonds1

About methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate

methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate (PubChem CID 102738593) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
PubChem CID102738593
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCC(C)C1CO
InChIInChI=1S/C8H15NO3/c1-6-3-4-9(7(6)5-10)8(11)12-2/h6-7,10H,3-5H2,1-2H3
InChIKeyABWLUICQKNYICZ-UHFFFAOYSA-N
XLogP0.46
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-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 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate (CID 102738593) is methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate is COC(=O)N1CCC(C)C1CO.
What is the InChIKey of methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
The InChIKey is ABWLUICQKNYICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-6-3-4-9(7(6)5-10)8(11)12-2/h6-7,10H,3-5H2,1-2H3.
What are the key properties of methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate?
methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate has a molecular weight of 173.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 102738593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).