6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate

C20H27N3O5 — CID 71305336

IUPAC6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CNC(=O)CN2C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H27N3O5/c1-19(2,3)28-17(25)22-10-9-20(14-22)13-21-16(24)11-23(20)18(26)27-12-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,24)
InChIKeyALYZEQUHIISTTO-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.13
Rot. Bonds2

About 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate

6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate (PubChem CID 71305336) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate.

Molecular Properties

Compound Name6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
PubChem CID71305336
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CNC(=O)CN2C(=O)OCc2ccccc2)C1
InChIInChI=1S/C20H27N3O5/c1-19(2,3)28-17(25)22-10-9-20(14-22)13-21-16(24)11-23(20)18(26)27-12-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,24)
InChIKeyALYZEQUHIISTTO-UHFFFAOYSA-N
XLogP2.13
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate with MolForge

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Related Compounds

9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
1-O-benzyl 8-O-tert-butyl 1,8-diazaspiro[3.5]nonane-1,8-dicarboxylate;tert-butyl 3-amino-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 158844308
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
benzyl 6,6-difluoro-3-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 155892862
1-O-benzyl 4-O-tert-butyl 2,2-dimethyl-5-oxopiperazine-1,4-dicarboxylate
CID 156708966
4-O-benzyl 1-O-tert-butyl 2-(hydroxymethyl)-2-methylpiperazine-1,4-dicarboxylate
CID 178167001
2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
CID 121226000
6-O-benzyl 2-O-tert-butyl 8-fluoro-8-(hydroxymethyl)-2,6-diazaspiro[3.4]octane-2,6-dicarboxylate
CID 155893237
3-O-benzyl 1-O-tert-butyl (3S)-3-methylpiperazine-1,3-dicarboxylate
CID 172635141
tert-butyl 4-[(4-hydroxy-1-phenylmethoxycarbonylpiperidin-4-yl)methyl]piperazine-1-carboxylate
CID 172592582
tert-butyl (3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 175984767
tert-butyl 1-benzyl-1,6-diazaspiro[3.3]heptane-6-carboxylate;hydrochloride
CID 138109545

Frequently Asked Questions

What is the IUPAC name of 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate?
The IUPAC name of 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate (CID 71305336) is 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate.
What is the SMILES notation for 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate?
The canonical SMILES for 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate is CC(C)(C)OC(=O)N1CCC2(CNC(=O)CN2C(=O)OCc2ccccc2)C1.
What is the InChIKey of 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate?
The InChIKey is ALYZEQUHIISTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-19(2,3)28-17(25)22-10-9-20(14-22)13-21-16(24)11-23(20)18(26)27-12-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,21,24).
What are the key properties of 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate?
6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate has a molecular weight of 389.45 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-O-benzyl 2-O-tert-butyl 8-oxo-2,6,9-triazaspiro[4.5]decane-2,6-dicarboxylate is sourced from PubChem (CID 71305336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).