4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate

C18H30N2O6 — CID 134786235

IUPAC4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](OC)C(=O)N(C)C12CCN(C(=O)OCC(C)C)CC2
InChIInChI=1S/C18H30N2O6/c1-6-25-16(22)13-14(24-5)15(21)19(4)18(13)7-9-20(10-8-18)17(23)26-11-12(2)3/h12-14H,6-11H2,1-5H3/t13-,14+/m0/s1
InChIKeyBHTAWYKLNUTUTP-UONOGXRCSA-N
MW370.45 g/mol
LogP1.28
Rot. Bonds5

About 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate

4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate (PubChem CID 134786235) has the molecular formula C18H30N2O6 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
PubChem CID134786235
Molecular FormulaC18H30N2O6
Molecular Weight370.45 g/mol
Exact Mass370.21
IUPAC Name4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate
SMILESCCOC(=O)[C@@H]1[C@@H](OC)C(=O)N(C)C12CCN(C(=O)OCC(C)C)CC2
InChIInChI=1S/C18H30N2O6/c1-6-25-16(22)13-14(24-5)15(21)19(4)18(13)7-9-20(10-8-18)17(23)26-11-12(2)3/h12-14H,6-11H2,1-5H3/t13-,14+/m0/s1
InChIKeyBHTAWYKLNUTUTP-UONOGXRCSA-N
XLogP1.28
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The IUPAC name of 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate (CID 134786235) is 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The canonical SMILES for 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate is CCOC(=O)[C@@H]1[C@@H](OC)C(=O)N(C)C12CCN(C(=O)OCC(C)C)CC2.
What is the InChIKey of 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
The InChIKey is BHTAWYKLNUTUTP-UONOGXRCSA-N. The full InChI is InChI=1S/C18H30N2O6/c1-6-25-16(22)13-14(24-5)15(21)19(4)18(13)7-9-20(10-8-18)17(23)26-11-12(2)3/h12-14H,6-11H2,1-5H3/t13-,14+/m0/s1.
What are the key properties of 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate?
4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate has a molecular weight of 370.45 g/mol, XLogP of 1.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 8-O-(2-methylpropyl) (3R,4S)-3-methoxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4,8-dicarboxylate is sourced from PubChem (CID 134786235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).