methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate

C13H21NO4 — CID 20705211

IUPACmethyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1(OC(C)=O)CNCC12CCCCC2
InChIInChI=1S/C13H21NO4/c1-10(15)18-13(11(16)17-2)9-14-8-12(13)6-4-3-5-7-12/h14H,3-9H2,1-2H3
InChIKeyVBEFVVKVEWPEQE-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.01
Rot. Bonds2

About methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate

methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate (PubChem CID 20705211) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate
PubChem CID20705211
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Namemethyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate
SMILESCOC(=O)C1(OC(C)=O)CNCC12CCCCC2
InChIInChI=1S/C13H21NO4/c1-10(15)18-13(11(16)17-2)9-14-8-12(13)6-4-3-5-7-12/h14H,3-9H2,1-2H3
InChIKeyVBEFVVKVEWPEQE-UHFFFAOYSA-N
XLogP1.01
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-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 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate (CID 20705211) is methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate is COC(=O)C1(OC(C)=O)CNCC12CCCCC2.
What is the InChIKey of methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is VBEFVVKVEWPEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-10(15)18-13(11(16)17-2)9-14-8-12(13)6-4-3-5-7-12/h14H,3-9H2,1-2H3.
What are the key properties of methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate?
methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 255.31 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyloxy-2-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 20705211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).