methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate

C11H21NO3 — CID 66098608

IUPACmethyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
SMILESCOC(=O)CC1(C(C)(C)N)CCCOC1
InChIInChI=1S/C11H21NO3/c1-10(2,12)11(7-9(13)14-3)5-4-6-15-8-11/h4-8,12H2,1-3H3
InChIKeyCTESBYMYOFVHBT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.08
Rot. Bonds3

About methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate

methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate (PubChem CID 66098608) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
PubChem CID66098608
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
SMILESCOC(=O)CC1(C(C)(C)N)CCCOC1
InChIInChI=1S/C11H21NO3/c1-10(2,12)11(7-9(13)14-3)5-4-6-15-8-11/h4-8,12H2,1-3H3
InChIKeyCTESBYMYOFVHBT-UHFFFAOYSA-N
XLogP1.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[3-(2-aminopropan-2-yl)oxan-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-(2-aminopropan-2-yl)oxan-3-yl]acetate?
The IUPAC name of methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate (CID 66098608) is methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate.
What is the SMILES notation for methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate?
The canonical SMILES for methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate is COC(=O)CC1(C(C)(C)N)CCCOC1.
What is the InChIKey of methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate?
The InChIKey is CTESBYMYOFVHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-10(2,12)11(7-9(13)14-3)5-4-6-15-8-11/h4-8,12H2,1-3H3.
What are the key properties of methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate?
methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate has a molecular weight of 215.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate is sourced from PubChem (CID 66098608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).