2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C12H21NO4 — CID 171137986

IUPAC2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(O)OC(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C12H21NO4/c1-11(2,15)17-10(14)13-7-5-12(6-8-13)4-3-9-16-12/h15H,3-9H2,1-2H3
InChIKeyWEGXKVWSUOLEAE-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.50
Rot. Bonds1

About 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate

2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 171137986) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID171137986
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCC(C)(O)OC(=O)N1CCC2(CCCO2)CC1
InChIInChI=1S/C12H21NO4/c1-11(2,15)17-10(14)13-7-5-12(6-8-13)4-3-9-16-12/h15H,3-9H2,1-2H3
InChIKeyWEGXKVWSUOLEAE-UHFFFAOYSA-N
XLogP1.50
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4,4-difluoro-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171919158
tert-butyl 3-formyl-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 171372841
tert-butyl 2-oxo-1-oxa-9-azaspiro[5.5]undecane-9-carboxylate
CID 22975821
tert-butyl 3-fluoro-1-oxa-9-azaspiro[4.6]undecane-9-carboxylate
CID 155896173
tert-butyl 4-propan-2-ylsulfanyl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134424896
tert-butyl 4-(2,2,2-trifluoroethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 151011850
tert-butyl 6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90176680
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl (5R,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 159222803
tert-butyl (5S,6R)-6-fluoro-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 90183866
tert-butyl 4-pyridin-4-yl-1-oxa-4,9-diazaspiro[5.5]undecane-9-carboxylate
CID 134394486
tert-butyl (3S)-3-bromo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 41417340

Frequently Asked Questions

What is the IUPAC name of 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 171137986) is 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CC(C)(O)OC(=O)N1CCC2(CCCO2)CC1.
What is the InChIKey of 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is WEGXKVWSUOLEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-11(2,15)17-10(14)13-7-5-12(6-8-13)4-3-9-16-12/h15H,3-9H2,1-2H3.
What are the key properties of 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxypropan-2-yl 1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 171137986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).