methyl 2-[3-(methylamino)oxolan-3-yl]acetate

C8H15NO3 — CID 65234538

IUPACmethyl 2-[3-(methylamino)oxolan-3-yl]acetate
SMILESCNC1(CC(=O)OC)CCOC1
InChIInChI=1S/C8H15NO3/c1-9-8(3-4-12-6-8)5-7(10)11-2/h9H,3-6H2,1-2H3
InChIKeyYKTMJYAILBSVMP-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds3

About methyl 2-[3-(methylamino)oxolan-3-yl]acetate

methyl 2-[3-(methylamino)oxolan-3-yl]acetate (PubChem CID 65234538) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-[3-(methylamino)oxolan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(methylamino)oxolan-3-yl]acetate
PubChem CID65234538
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-[3-(methylamino)oxolan-3-yl]acetate
SMILESCNC1(CC(=O)OC)CCOC1
InChIInChI=1S/C8H15NO3/c1-9-8(3-4-12-6-8)5-7(10)11-2/h9H,3-6H2,1-2H3
InChIKeyYKTMJYAILBSVMP-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(methylamino)oxolan-3-yl]acetate 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-[3-(methylamino)oxolan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(methylamino)oxolan-3-yl]acetate (CID 65234538) is methyl 2-[3-(methylamino)oxolan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(methylamino)oxolan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(methylamino)oxolan-3-yl]acetate is CNC1(CC(=O)OC)CCOC1.
What is the InChIKey of methyl 2-[3-(methylamino)oxolan-3-yl]acetate?
The InChIKey is YKTMJYAILBSVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-9-8(3-4-12-6-8)5-7(10)11-2/h9H,3-6H2,1-2H3.
What are the key properties of methyl 2-[3-(methylamino)oxolan-3-yl]acetate?
methyl 2-[3-(methylamino)oxolan-3-yl]acetate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(methylamino)oxolan-3-yl]acetate is sourced from PubChem (CID 65234538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).