tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate

C12H22N2O3 — CID 127263641

IUPACtert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC2(COC2)N1
InChIInChI=1S/C12H22N2O3/c1-9-5-14(10(15)17-11(2,3)4)6-12(13-9)7-16-8-12/h9,13H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyHEQKBJZRHDPYEM-VIFPVBQESA-N
MW242.32 g/mol
LogP0.98
Rot. Bonds

About tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate

tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate (PubChem CID 127263641) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate
PubChem CID127263641
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)CC2(COC2)N1
InChIInChI=1S/C12H22N2O3/c1-9-5-14(10(15)17-11(2,3)4)6-12(13-9)7-16-8-12/h9,13H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyHEQKBJZRHDPYEM-VIFPVBQESA-N
XLogP0.98
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S,5S)-3,5-dimethylpiperazine-1-carboxylate;hydrochloride
CID 71720972
tert-butyl 5-(hydroxymethyl)-3,3-dimethylpiperazine-1-carboxylate
CID 155215367
tert-butyl (3S,4S)-3,4-dimethylpyrrolidine-1-carboxylate
CID 90195379
tert-butyl 3-methylpiperazine-1-carboxylate;hydrochloride
CID 24820292
tert-butyl 3-hydroxy-3,4-dimethylpyrrolidine-1-carboxylate
CID 130792843
tert-butyl (3R)-3-fluoro-3-(hydroxymethyl)-4-methylpyrrolidine-1-carboxylate
CID 138112305
tert-butyl 2-oxo-9-oxa-1,6-diazaspiro[3.6]decane-6-carboxylate
CID 167468562
tert-butyl 3-[5-(hydroxymethyl)-2-oxa-7-azaspiro[3.4]octane-7-carbonyl]-3-methylazetidine-1-carboxylate
CID 155957502
7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
CID 166445109
tert-butyl (3S,5R)-3,5-dimethylpiperazine-1-carboxylate;(2S,6R)-2,6-dimethylpiperazine
CID 162156200
tert-butyl 6,6-difluoro-2-(hydroxymethyl)-1,4-oxazepane-4-carboxylate
CID 175205474
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273

Frequently Asked Questions

What is the IUPAC name of tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate?
The IUPAC name of tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate (CID 127263641) is tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate.
What is the SMILES notation for tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate?
The canonical SMILES for tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)CC2(COC2)N1.
What is the InChIKey of tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate?
The InChIKey is HEQKBJZRHDPYEM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9-5-14(10(15)17-11(2,3)4)6-12(13-9)7-16-8-12/h9,13H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate?
tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (6S)-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane-8-carboxylate is sourced from PubChem (CID 127263641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).