methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate

C13H21NO5 — CID 59531306

IUPACmethyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate
SMILESCOC(=O)C1N(C(C)=O)C(CO)C[C@@]12CCCCO2
InChIInChI=1S/C13H21NO5/c1-9(16)14-10(8-15)7-13(5-3-4-6-19-13)11(14)12(17)18-2/h10-11,15H,3-8H2,1-2H3/t10?,11?,13-/m0/s1
InChIKeyDWYKSBTYLUOHTK-XIVSLSHWSA-N
MW271.31 g/mol
LogP0.08
Rot. Bonds2

About methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate

methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate (PubChem CID 59531306) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate.

Molecular Properties

Compound Namemethyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate
PubChem CID59531306
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate
SMILESCOC(=O)C1N(C(C)=O)C(CO)C[C@@]12CCCCO2
InChIInChI=1S/C13H21NO5/c1-9(16)14-10(8-15)7-13(5-3-4-6-19-13)11(14)12(17)18-2/h10-11,15H,3-8H2,1-2H3/t10?,11?,13-/m0/s1
InChIKeyDWYKSBTYLUOHTK-XIVSLSHWSA-N
XLogP0.08
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-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 (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate?
The IUPAC name of methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate (CID 59531306) is methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate.
What is the SMILES notation for methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate?
The canonical SMILES for methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate is COC(=O)C1N(C(C)=O)C(CO)C[C@@]12CCCCO2.
What is the InChIKey of methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate?
The InChIKey is DWYKSBTYLUOHTK-XIVSLSHWSA-N. The full InChI is InChI=1S/C13H21NO5/c1-9(16)14-10(8-15)7-13(5-3-4-6-19-13)11(14)12(17)18-2/h10-11,15H,3-8H2,1-2H3/t10?,11?,13-/m0/s1.
What are the key properties of methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate?
methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate has a molecular weight of 271.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S)-2-acetyl-3-(hydroxymethyl)-6-oxa-2-azaspiro[4.5]decane-1-carboxylate is sourced from PubChem (CID 59531306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).