tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate

C17H29NO4 — CID 134434145

IUPACtert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate
SMILESCCOC(=O)CCC1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H29NO4/c1-5-21-14(19)7-6-13-12-17(13)8-10-18(11-9-17)15(20)22-16(2,3)4/h13H,5-12H2,1-4H3
InChIKeyURUCHLGBMVANME-UHFFFAOYSA-N
MW311.42 g/mol
LogP3.37
Rot. Bonds4

About tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 134434145) has the molecular formula C17H29NO4 and a molecular weight of 311.42 g/mol. Its IUPAC name is tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate
PubChem CID134434145
Molecular FormulaC17H29NO4
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Nametert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate
SMILESCCOC(=O)CCC1CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C17H29NO4/c1-5-21-14(19)7-6-13-12-17(13)8-10-18(11-9-17)15(20)22-16(2,3)4/h13H,5-12H2,1-4H3
InChIKeyURUCHLGBMVANME-UHFFFAOYSA-N
XLogP3.37
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-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 tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate?
The IUPAC name of tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate (CID 134434145) is tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate?
The canonical SMILES for tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate is CCOC(=O)CCC1CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate?
The InChIKey is URUCHLGBMVANME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO4/c1-5-21-14(19)7-6-13-12-17(13)8-10-18(11-9-17)15(20)22-16(2,3)4/h13H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate?
tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 311.42 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-ethoxy-3-oxopropyl)-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 134434145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).