ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

C12H22N2O5 — CID 169198147

IUPACethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCC.COC(=O)C1CC2(CN1C(=O)CN)OCCO2
InChIInChI=1S/C10H16N2O5.C2H6/c1-15-9(14)7-4-10(16-2-3-17-10)6-12(7)8(13)5-11;1-2/h7H,2-6,11H2,1H3;1-2H3
InChIKeyCLESLHVPOQOLPI-UHFFFAOYSA-N
MW274.32 g/mol
LogP-0.51
Rot. Bonds2

About ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate

ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (PubChem CID 169198147) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.

Molecular Properties

Compound Nameethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
PubChem CID169198147
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Nameethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate
SMILESCC.COC(=O)C1CC2(CN1C(=O)CN)OCCO2
InChIInChI=1S/C10H16N2O5.C2H6/c1-15-9(14)7-4-10(16-2-3-17-10)6-12(7)8(13)5-11;1-2/h7H,2-6,11H2,1H3;1-2H3
InChIKeyCLESLHVPOQOLPI-UHFFFAOYSA-N
XLogP-0.51
TPSA91.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-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 ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The IUPAC name of ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate (CID 169198147) is ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate.
What is the SMILES notation for ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The canonical SMILES for ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is CC.COC(=O)C1CC2(CN1C(=O)CN)OCCO2.
What is the InChIKey of ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
The InChIKey is CLESLHVPOQOLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5.C2H6/c1-15-9(14)7-4-10(16-2-3-17-10)6-12(7)8(13)5-11;1-2/h7H,2-6,11H2,1H3;1-2H3.
What are the key properties of ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate?
ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate has a molecular weight of 274.32 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 7-(2-aminoacetyl)-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxylate is sourced from PubChem (CID 169198147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).