tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

C17H30N2O3 — CID 169161321

IUPACtert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC1(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CCOCC1
InChIInChI=1S/C17H30N2O3/c1-15(2,3)22-14(20)19-12-17(13-19)10-18(11-17)9-16(4)5-7-21-8-6-16/h5-13H2,1-4H3
InChIKeyOGSABDHJZSJAFR-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (PubChem CID 169161321) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
PubChem CID169161321
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Nametert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate
SMILESCC1(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CCOCC1
InChIInChI=1S/C17H30N2O3/c1-15(2,3)22-14(20)19-12-17(13-19)10-18(11-17)9-16(4)5-7-21-8-6-16/h5-13H2,1-4H3
InChIKeyOGSABDHJZSJAFR-UHFFFAOYSA-N
XLogP2.36
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 6-(2-oxopropyl)-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 172586842
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 3-[(4-methyloxan-4-yl)methylamino]piperidine-1-carboxylate
CID 103949364
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
tert-butyl 2,7-dioxa-11-azadispiro[2.0.54.43]tridecane-11-carboxylate
CID 175691146
tert-butyl 3-methyl-3-(2-oxopropyl)azetidine-1-carboxylate
CID 126745334
tert-butyl 2,7-diazaspiro[3.5]nonane-2-carboxylate;ethane
CID 168901437
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
1-O-tert-butyl 4-O-ethyl 4-methylpiperidine-1,4-dicarboxylate;1,4-dioxane
CID 174806734
CID 176582761
CID 176582761
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
CID 170758425

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The IUPAC name of tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate (CID 169161321) is tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate.
What is the SMILES notation for tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The canonical SMILES for tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is CC1(CN2CC3(C2)CN(C(=O)OC(C)(C)C)C3)CCOCC1.
What is the InChIKey of tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
The InChIKey is OGSABDHJZSJAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-15(2,3)22-14(20)19-12-17(13-19)10-18(11-17)9-16(4)5-7-21-8-6-16/h5-13H2,1-4H3.
What are the key properties of tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate?
tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(4-methyloxan-4-yl)methyl]-2,6-diazaspiro[3.3]heptane-2-carboxylate is sourced from PubChem (CID 169161321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).