tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate

C12H19NO6 — CID 11033024

IUPACtert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(OCCC[C@@H]2O)OC1=O
InChIInChI=1S/C12H19NO6/c1-11(2,3)18-9(15)13-7-12(19-10(13)16)8(14)5-4-6-17-12/h8,14H,4-7H2,1-3H3/t8-,12-/m0/s1
InChIKeyDJJPOLWXADMHPK-UFBFGSQYSA-N
MW273.28 g/mol
LogP1.24
Rot. Bonds

About tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate

tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate (PubChem CID 11033024) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
PubChem CID11033024
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Nametert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@]2(OCCC[C@@H]2O)OC1=O
InChIInChI=1S/C12H19NO6/c1-11(2,3)18-9(15)13-7-12(19-10(13)16)8(14)5-4-6-17-12/h8,14H,4-7H2,1-3H3/t8-,12-/m0/s1
InChIKeyDJJPOLWXADMHPK-UFBFGSQYSA-N
XLogP1.24
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate with MolForge

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Related Compounds

tert-butyl (3aR,4S,7S,7aR)-7-hydroxy-4-(hydroxymethyl)-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyridine-5-carboxylate
CID 42598100
tert-butyl (2S)-2-[(1R)-2-hydroxy-1-(oxan-2-yloxy)ethyl]pyrrolidine-1-carboxylate
CID 167396147
tert-butyl (2S)-2-[2-hydroxy-1-(oxan-2-yloxy)ethyl]pyrrolidine-1-carboxylate
CID 175441525
tert-butyl (3'aR,5S,7'S,7'aS)-7'-hydroxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 10892475
(3'aR,5S,7'S,7'aS)-7'-hydroxy-2',2',3-trimethylspiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-2-one
CID 10945140
tert-butyl (2S,3R,4S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxypyrrolidine-1-carboxylate
CID 11403911
tert-butyl (3'aR,5S,7'S,7'aS)-2',2'-diethyl-7'-hydroxy-2-oxospiro[1,3-oxazolidine-5,6'-3a,4,7,7a-tetrahydro-[1,3]dioxolo[4,5-c]pyran]-3-carboxylate
CID 11728441
tert-butyl (7R)-7-[(1S)-1,2-dihydroxyethyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
CID 11822823

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate?
The IUPAC name of tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate (CID 11033024) is tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate is CC(C)(C)OC(=O)N1C[C@]2(OCCC[C@@H]2O)OC1=O.
What is the InChIKey of tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate?
The InChIKey is DJJPOLWXADMHPK-UFBFGSQYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-11(2,3)18-9(15)13-7-12(19-10(13)16)8(14)5-4-6-17-12/h8,14H,4-7H2,1-3H3/t8-,12-/m0/s1.
What are the key properties of tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate?
tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate has a molecular weight of 273.28 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5S,6S)-6-hydroxy-2-oxo-1,10-dioxa-3-azaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 11033024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).