tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate

C19H32N2O5 — CID 150646824

IUPACtert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1
InChIInChI=1S/C19H32N2O5/c1-17(2,3)26-16(23)21-9-8-19(24,18(13-21)6-4-5-7-18)14-20-10-11-25-12-15(20)22/h24H,4-14H2,1-3H3
InChIKeyJBAZYIOHFBTBQH-UHFFFAOYSA-N
MW368.47 g/mol
LogP1.78
Rot. Bonds2

About tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate

tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate (PubChem CID 150646824) has the molecular formula C19H32N2O5 and a molecular weight of 368.47 g/mol. Its IUPAC name is tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
PubChem CID150646824
Molecular FormulaC19H32N2O5
Molecular Weight368.47 g/mol
Exact Mass368.23
IUPAC Nametert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1
InChIInChI=1S/C19H32N2O5/c1-17(2,3)26-16(23)21-9-8-19(24,18(13-21)6-4-5-7-18)14-20-10-11-25-12-15(20)22/h24H,4-14H2,1-3H3
InChIKeyJBAZYIOHFBTBQH-UHFFFAOYSA-N
XLogP1.78
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.47
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate with MolForge

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Related Compounds

4-[(10-hydroxy-7-methyl-7-azaspiro[4.5]decan-10-yl)methyl]morpholin-3-one
CID 139375405
4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one
CID 139370296
4-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]morpholin-3-one
CID 139370198
tert-butyl 10-hydroxy-10-[(2-oxo-4-phenyl-1-pyridinyl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151381307
tert-butyl 10-hydroxy-10-[(2-methyl-7-oxopyrazolo[4,3-d]pyrimidin-6-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 151860336
tert-butyl (10R)-10-hydroxy-10-[(6-oxo-4-phenylpyrimidin-1-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 165141849
tert-butyl 10-hydroxy-10-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate
CID 150259503
tert-butyl 4-hydroxy-4-[(4-hydroxy-2-oxopyrrolidin-1-yl)methyl]piperidine-1-carboxylate
CID 168701776
tert-butyl 4-[(4-chloro-2-oxopyrrolidin-1-yl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 168687195
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 4-hydroxy-4-[(morpholin-4-ylamino)methyl]piperidine-1-carboxylate
CID 126847247
tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate
CID 175691146

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The IUPAC name of tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate (CID 150646824) is tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CN2CCOCC2=O)C2(CCCC2)C1.
What is the InChIKey of tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
The InChIKey is JBAZYIOHFBTBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O5/c1-17(2,3)26-16(23)21-9-8-19(24,18(13-21)6-4-5-7-18)14-20-10-11-25-12-15(20)22/h24H,4-14H2,1-3H3.
What are the key properties of tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate?
tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate has a molecular weight of 368.47 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-hydroxy-10-[(3-oxomorpholin-4-yl)methyl]-7-azaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 150646824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).