tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride

C12H23ClN2O3 — CID 131698380

IUPACtert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOC2(CCNC2)C1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12;/h13H,4-9H2,1-3H3;1H
InChIKeyWGLCTNVOFYGCFK-UHFFFAOYSA-N
MW278.78 g/mol
LogP1.41
Rot. Bonds

About tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride

tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride (PubChem CID 131698380) has the molecular formula C12H23ClN2O3 and a molecular weight of 278.78 g/mol. Its IUPAC name is tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride
PubChem CID131698380
Molecular FormulaC12H23ClN2O3
Molecular Weight278.78 g/mol
Exact Mass278.14
IUPAC Nametert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCOC2(CCNC2)C1.Cl
InChIInChI=1S/C12H22N2O3.ClH/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12;/h13H,4-9H2,1-3H3;1H
InChIKeyWGLCTNVOFYGCFK-UHFFFAOYSA-N
XLogP1.41
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl 2-(aminomethyl)morpholine-4-carboxylate
CID 19081094
tert-Butyl (2-morpholin-2-ylethyl)carbamate
CID 25219056
tert-butyl N-[[(3S,4S)-4-ethoxypyrrolidin-3-yl]methyl]carbamate
CID 122163615
Tert-butyl 1-oxa-4,8-diazaspiro[4.5]decane-8-carboxylate
CID 7062127
tert-butyl N-methyl-N-[(morpholin-2-yl)methyl]carbamate
CID 19691535
rac-tert-butyl (4aR,7aS)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 22875335
Tert-butyl 6-oxa-2,9-diazaspiro(4.5)decane-9-carboxylate
CID 23548219
1,1-Dimethylethyl 2-(2-aminoethyl)-4-morpholinecarboxylate
CID 23562635
3-Methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one hydrochloride
CID 50944312
Tert-butyl 3-(2-aminoethoxy)pyrrolidine-1-carboxylate
CID 66563850
rac-tert-butyl (4aR,7aR)-octahydropyrrolo[3,4-b]morpholine-6-carboxylate
CID 67991858
4-Morpholinecarboxylic acid, 6-(aminomethyl)-2,2-dimethyl-, 1,1-dimethylethyl ester, (6S)-
CID 71742818

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride (CID 131698380) is tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCOC2(CCNC2)C1.Cl.
What is the InChIKey of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride?
The InChIKey is WGLCTNVOFYGCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3.ClH/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12;/h13H,4-9H2,1-3H3;1H.
What are the key properties of tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride?
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride has a molecular weight of 278.78 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate;hydrochloride is sourced from PubChem (CID 131698380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).