ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

C19H32N2O5 — CID 71304230

IUPACditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESCC1C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H32N2O5/c1-13-14(22)21(16(24)26-18(5,6)7)12-19(13)8-10-20(11-9-19)15(23)25-17(2,3)4/h13H,8-12H2,1-7H3
InChIKeyKDNPTBCVXOYYMW-UHFFFAOYSA-N
MW368.47 g/mol
LogP3.42
Rot. Bonds

About ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate

ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (PubChem CID 71304230) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
PubChem CID71304230
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nameditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESCC1C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C19H32N2O5/c1-13-14(22)21(16(24)26-18(5,6)7)12-19(13)8-10-20(11-9-19)15(23)25-17(2,3)4/h13H,8-12H2,1-7H3
InChIKeyKDNPTBCVXOYYMW-UHFFFAOYSA-N
XLogP3.42
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The IUPAC name of ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate (CID 71304230) is ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate.
What is the SMILES notation for ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The canonical SMILES for ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is CC1C(=O)N(C(=O)OC(C)(C)C)CC12CCN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
The InChIKey is KDNPTBCVXOYYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-13-14(22)21(16(24)26-18(5,6)7)12-19(13)8-10-20(11-9-19)15(23)25-17(2,3)4/h13H,8-12H2,1-7H3.
What are the key properties of ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate?
ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate has a molecular weight of 368.47 g/mol, XLogP of 3.42, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl 4-methyl-3-oxo-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate is sourced from PubChem (CID 71304230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).