[(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate

C11H15NO6 — CID 134551013

IUPAC[(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate
SMILESCC(=O)OC(C)(C1CO1)C1(OC(C)=O)N[C@]12CO2
InChIInChI=1S/C11H15NO6/c1-6(13)17-9(3,8-4-15-8)11(18-7(2)14)10(12-11)5-16-10/h8,12H,4-5H2,1-3H3/t8?,9?,10-,11?/m0/s1
InChIKeyFEGRMRLVUPOGRU-MWJCJQSMSA-N
MW257.24 g/mol
LogP-0.70
Rot. Bonds4

About [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate

[(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate (PubChem CID 134551013) has the molecular formula C11H15NO6 and a molecular weight of 257.24 g/mol. Its IUPAC name is [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate.

Molecular Properties

Compound Name[(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate
PubChem CID134551013
Molecular FormulaC11H15NO6
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name[(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate
SMILESCC(=O)OC(C)(C1CO1)C1(OC(C)=O)N[C@]12CO2
InChIInChI=1S/C11H15NO6/c1-6(13)17-9(3,8-4-15-8)11(18-7(2)14)10(12-11)5-16-10/h8,12H,4-5H2,1-3H3/t8?,9?,10-,11?/m0/s1
InChIKeyFEGRMRLVUPOGRU-MWJCJQSMSA-N
XLogP-0.70
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-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 [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate?
The IUPAC name of [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate (CID 134551013) is [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate.
What is the SMILES notation for [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate?
The canonical SMILES for [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate is CC(=O)OC(C)(C1CO1)C1(OC(C)=O)N[C@]12CO2.
What is the InChIKey of [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate?
The InChIKey is FEGRMRLVUPOGRU-MWJCJQSMSA-N. The full InChI is InChI=1S/C11H15NO6/c1-6(13)17-9(3,8-4-15-8)11(18-7(2)14)10(12-11)5-16-10/h8,12H,4-5H2,1-3H3/t8?,9?,10-,11?/m0/s1.
What are the key properties of [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate?
[(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate has a molecular weight of 257.24 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-[1-acetyloxy-1-(oxiran-2-yl)ethyl]-1-oxa-4-azaspiro[2.2]pentan-5-yl] acetate is sourced from PubChem (CID 134551013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).