tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate

C14H23NO4 — CID 155894181

IUPACtert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
SMILESCC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC12COC2
InChIInChI=1S/C14H23NO4/c1-10(16)13(5)6-15(7-14(13)8-18-9-14)11(17)19-12(2,3)4/h6-9H2,1-5H3/t13-/m1/s1
InChIKeyNYPNDBMTHGMBMN-CYBMUJFWSA-N
MW269.34 g/mol
LogP1.85
Rot. Bonds1

About tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate

tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate (PubChem CID 155894181) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
PubChem CID155894181
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Nametert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate
SMILESCC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC12COC2
InChIInChI=1S/C14H23NO4/c1-10(16)13(5)6-15(7-14(13)8-18-9-14)11(17)19-12(2,3)4/h6-9H2,1-5H3/t13-/m1/s1
InChIKeyNYPNDBMTHGMBMN-CYBMUJFWSA-N
XLogP1.85
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate with MolForge

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Related Compounds

(5S)-5-fluoro-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-oxa-7-azaspiro[3.4]octane-5-carboxylic acid
CID 124710201
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 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl (6S)-6-hydroxy-6-methyl-1,4-oxazepane-4-carboxylate
CID 125117343
tert-butyl 3-[5-(hydroxymethyl)-2-oxa-7-azaspiro[3.4]octane-7-carbonyl]-3-methylazetidine-1-carboxylate
CID 155957502
tert-butyl 6-(2-hydroxypropan-2-yl)-6-methyl-1,4-oxazepane-4-carboxylate
CID 157175899
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
tert-butyl 8-hydroxy-8-methyl-5-oxa-2-azaspiro[3.5]nonane-2-carboxylate
CID 155891545

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate (CID 155894181) is tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate is CC(=O)[C@@]1(C)CN(C(=O)OC(C)(C)C)CC12COC2.
What is the InChIKey of tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is NYPNDBMTHGMBMN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10(16)13(5)6-15(7-14(13)8-18-9-14)11(17)19-12(2,3)4/h6-9H2,1-5H3/t13-/m1/s1.
What are the key properties of tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate?
tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 269.34 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-5-acetyl-5-methyl-2-oxa-7-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 155894181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).