tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

C15H27NO5 — CID 58442877

IUPACtert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1C(C)(C)O)OCCO2
InChIInChI=1S/C15H27NO5/c1-13(2,3)21-12(17)16-7-6-15(19-8-9-20-15)10-11(16)14(4,5)18/h11,18H,6-10H2,1-5H3
InChIKeySPXKYYAQZABGEM-UHFFFAOYSA-N
MW301.38 g/mol
LogP1.90
Rot. Bonds1

About tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 58442877) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID58442877
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nametert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC2(CC1C(C)(C)O)OCCO2
InChIInChI=1S/C15H27NO5/c1-13(2,3)21-12(17)16-7-6-15(19-8-9-20-15)10-11(16)14(4,5)18/h11,18H,6-10H2,1-5H3
InChIKeySPXKYYAQZABGEM-UHFFFAOYSA-N
XLogP1.90
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

(7S)-8-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-dioxa-8-azaspiro[4.5]decane-7-carboxylic acid
CID 97301654
8-O-tert-butyl 7-O-methyl 1,4-dioxa-8-azaspiro[4.5]decane-7,8-dicarboxylate
CID 134943585
tert-butyl 3-(2-hydroxypropan-2-yl)morpholine-4-carboxylate
CID 155289654
tert-butyl 7-[(2-hydroxyphenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 69159353
tert-butyl (8S)-8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 71743237
tert-butyl 8-(aminomethyl)-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 78166496
tert-butyl 4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-4-methylpiperidine-1-carboxylate
CID 11824008
tert-butyl 4,4-ditert-butyl-2-methylpiperidine-1-carboxylate
CID 156630485
tert-butyl 1-hydroxy-2-azaspiro[4.4]non-7-ene-2-carboxylate
CID 142283512
magnesium;tert-butyl (2S)-2-acetylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxylate;carbanide;oxolane;sulfane;bromide
CID 167618557
tert-butyl 3-[(1-aminocyclopropyl)-difluoromethyl]morpholine-4-carboxylate
CID 146014008
(7S)-6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[2.5]octane-7-carboxylic acid
CID 66848235

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate (CID 58442877) is tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC1C(C)(C)O)OCCO2.
What is the InChIKey of tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is SPXKYYAQZABGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-13(2,3)21-12(17)16-7-6-15(19-8-9-20-15)10-11(16)14(4,5)18/h11,18H,6-10H2,1-5H3.
What are the key properties of tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 301.38 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(2-hydroxypropan-2-yl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 58442877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).