tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride

C13H25ClN2O3 — CID 115053003

IUPACtert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(C1)NCCCC2O.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-12(2,3)18-11(17)15-8-6-13(9-15)10(16)5-4-7-14-13;/h10,14,16H,4-9H2,1-3H3;1H
InChIKeyFHSISSKBCRYZDI-UHFFFAOYSA-N
MW292.81 g/mol
LogP1.53
Rot. Bonds

About tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride

tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride (PubChem CID 115053003) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
PubChem CID115053003
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Nametert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC2(C1)NCCCC2O.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-12(2,3)18-11(17)15-8-6-13(9-15)10(16)5-4-7-14-13;/h10,14,16H,4-9H2,1-3H3;1H
InChIKeyFHSISSKBCRYZDI-UHFFFAOYSA-N
XLogP1.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (5S,9S)-9-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate
CID 124555987
tert-butyl 6-hydroxy-2-azaspiro[4.5]decane-2-carboxylate
CID 135395733
tert-butyl 2,6-diazaspiro[4.6]undecane-2-carboxylate
CID 82623314
tert-butyl 1,9-diazaspiro[4.5]decane-9-carboxylate
CID 42614152
tert-butyl 9-fluoro-2,6-diazaspiro[4.5]decane-2-carboxylate
CID 115048250
tert-butyl 1,8-diazaspiro[4.5]decane-8-carboxylate
CID 25212666
tert-butyl 8-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 71630735
tert-butyl 3,4-dihydroxy-3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 171843084
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 7-cyclopropyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 90426746
2-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-diazepane-2-carboxylic acid
CID 118856116
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695

Frequently Asked Questions

What is the IUPAC name of tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride (CID 115053003) is tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC2(C1)NCCCC2O.Cl.
What is the InChIKey of tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
The InChIKey is FHSISSKBCRYZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-12(2,3)18-11(17)15-8-6-13(9-15)10(16)5-4-7-14-13;/h10,14,16H,4-9H2,1-3H3;1H.
What are the key properties of tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride?
tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 1.53, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 10-hydroxy-2,6-diazaspiro[4.5]decane-2-carboxylate;hydrochloride is sourced from PubChem (CID 115053003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).