methyl 2-(3-aminooxan-3-yl)acetate

C8H15NO3 — CID 75356322

IUPACmethyl 2-(3-aminooxan-3-yl)acetate
SMILESCOC(=O)CC1(N)CCCOC1
InChIInChI=1S/C8H15NO3/c1-11-7(10)5-8(9)3-2-4-12-6-8/h2-6,9H2,1H3
InChIKeyZTOUZARIOOFVOE-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.06
Rot. Bonds2

About methyl 2-(3-aminooxan-3-yl)acetate

methyl 2-(3-aminooxan-3-yl)acetate (PubChem CID 75356322) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 2-(3-aminooxan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-aminooxan-3-yl)acetate
PubChem CID75356322
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 2-(3-aminooxan-3-yl)acetate
SMILESCOC(=O)CC1(N)CCCOC1
InChIInChI=1S/C8H15NO3/c1-11-7(10)5-8(9)3-2-4-12-6-8/h2-6,9H2,1H3
InChIKeyZTOUZARIOOFVOE-UHFFFAOYSA-N
XLogP0.06
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-(3-aminooxan-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-aminooxan-3-yl)acetate?
The IUPAC name of methyl 2-(3-aminooxan-3-yl)acetate (CID 75356322) is methyl 2-(3-aminooxan-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-aminooxan-3-yl)acetate?
The canonical SMILES for methyl 2-(3-aminooxan-3-yl)acetate is COC(=O)CC1(N)CCCOC1.
What is the InChIKey of methyl 2-(3-aminooxan-3-yl)acetate?
The InChIKey is ZTOUZARIOOFVOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-7(10)5-8(9)3-2-4-12-6-8/h2-6,9H2,1H3.
What are the key properties of methyl 2-(3-aminooxan-3-yl)acetate?
methyl 2-(3-aminooxan-3-yl)acetate has a molecular weight of 173.21 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminooxan-3-yl)acetate is sourced from PubChem (CID 75356322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).