2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate

C19H26N2O5 — CID 121226000

IUPAC2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC12CN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C19H26N2O5/c1-18(2,3)26-17(23)21-9-10-24-14-19(21)12-20(13-19)16(22)25-11-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyACEOOUVLDGXSET-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.64
Rot. Bonds2

About 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate

2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate (PubChem CID 121226000) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate.

Molecular Properties

Compound Name2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
PubChem CID121226000
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Name2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate
SMILESCC(C)(C)OC(=O)N1CCOCC12CN(C(=O)OCc1ccccc1)C2
InChIInChI=1S/C19H26N2O5/c1-18(2,3)26-17(23)21-9-10-24-14-19(21)12-20(13-19)16(22)25-11-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKeyACEOOUVLDGXSET-UHFFFAOYSA-N
XLogP2.64
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate with MolForge

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Related Compounds

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benzyl 3-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropyl]azetidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
The IUPAC name of 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate (CID 121226000) is 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate.
What is the SMILES notation for 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
The canonical SMILES for 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate is CC(C)(C)OC(=O)N1CCOCC12CN(C(=O)OCc1ccccc1)C2.
What is the InChIKey of 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
The InChIKey is ACEOOUVLDGXSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-18(2,3)26-17(23)21-9-10-24-14-19(21)12-20(13-19)16(22)25-11-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3.
What are the key properties of 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate?
2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate has a molecular weight of 362.43 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-benzyl 5-O-tert-butyl 8-oxa-2,5-diazaspiro[3.5]nonane-2,5-dicarboxylate is sourced from PubChem (CID 121226000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).