2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate

C15H26N2O5 — CID 125113172

IUPAC2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESCCOC(=O)[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)CN1
InChIInChI=1S/C15H26N2O5/c1-5-20-12(18)11-8-21-15(9-16-11)6-7-17(10-15)13(19)22-14(2,3)4/h11,16H,5-10H2,1-4H3/t11-,15+/m0/s1
InChIKeyZPXDUDVPHRRGSW-XHDPSFHLSA-N
MW314.38 g/mol
LogP0.92
Rot. Bonds2

About 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate

2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate (PubChem CID 125113172) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate
PubChem CID125113172
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate
SMILESCCOC(=O)[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)CN1
InChIInChI=1S/C15H26N2O5/c1-5-20-12(18)11-8-21-15(9-16-11)6-7-17(10-15)13(19)22-14(2,3)4/h11,16H,5-10H2,1-4H3/t11-,15+/m0/s1
InChIKeyZPXDUDVPHRRGSW-XHDPSFHLSA-N
XLogP0.92
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate with MolForge

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Related Compounds

tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
2-O-tert-butyl 9-O-ethyl 2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 71305548
2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 97111372
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229920
tert-butyl 3-(ethylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 170119756
7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
CID 178200149
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340
tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 166115550
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
tert-butyl (3R)-3-amino-3-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 97111496
tert-butyl 7-(iodomethyl)-6,9-dioxa-2-azaspiro[4.5]decane-2-carboxylate
CID 154828517

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate (CID 125113172) is 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate is CCOC(=O)[C@@H]1CO[C@]2(CCN(C(=O)OC(C)(C)C)C2)CN1.
What is the InChIKey of 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate?
The InChIKey is ZPXDUDVPHRRGSW-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-5-20-12(18)11-8-21-15(9-16-11)6-7-17(10-15)13(19)22-14(2,3)4/h11,16H,5-10H2,1-4H3/t11-,15+/m0/s1.
What are the key properties of 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate?
2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate has a molecular weight of 314.38 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate is sourced from PubChem (CID 125113172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).