methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate

C13H25NO4 — CID 64706741

IUPACmethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
SMILESCNC(C)(CC(C)OCC1CCCO1)C(=O)OC
InChIInChI=1S/C13H25NO4/c1-10(18-9-11-6-5-7-17-11)8-13(2,14-3)12(15)16-4/h10-11,14H,5-9H2,1-4H3
InChIKeySDTMGIRBALEDDE-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.11
Rot. Bonds7

About methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate

methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate (PubChem CID 64706741) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
PubChem CID64706741
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Namemethyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate
SMILESCNC(C)(CC(C)OCC1CCCO1)C(=O)OC
InChIInChI=1S/C13H25NO4/c1-10(18-9-11-6-5-7-17-11)8-13(2,14-3)12(15)16-4/h10-11,14H,5-9H2,1-4H3
InChIKeySDTMGIRBALEDDE-UHFFFAOYSA-N
XLogP1.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate 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-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
The IUPAC name of methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate (CID 64706741) is methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate is CNC(C)(CC(C)OCC1CCCO1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
The InChIKey is SDTMGIRBALEDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-10(18-9-11-6-5-7-17-11)8-13(2,14-3)12(15)16-4/h10-11,14H,5-9H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate?
methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate has a molecular weight of 259.35 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(methylamino)-4-(oxolan-2-ylmethoxy)pentanoate is sourced from PubChem (CID 64706741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).