tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate

C14H22N2O4 — CID 126816753

IUPACtert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC12COC2
InChIInChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)15-6-4-10(15)11(17)16-7-5-14(16)8-19-9-14/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyUCKYBMSDEKBTIK-SNVBAGLBSA-N
MW282.34 g/mol
LogP1.00
Rot. Bonds1

About tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate

tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate (PubChem CID 126816753) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate
PubChem CID126816753
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC12COC2
InChIInChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)15-6-4-10(15)11(17)16-7-5-14(16)8-19-9-14/h10H,4-9H2,1-3H3/t10-/m1/s1
InChIKeyUCKYBMSDEKBTIK-SNVBAGLBSA-N
XLogP1.00
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 110624369
ditert-butyl azetidine-1,2-dicarboxylate
CID 14821737
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
tert-butyl 2-(piperazine-1-carbonyl)azetidine-1-carboxylate
CID 175527976
1-O-tert-butyl 2-O-methyl (2S)-azetidine-1,2-dicarboxylate
CID 14821736
tert-butyl (2S)-2-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444524
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
tert-butyl (2R)-2-[3-hydroxy-3-(hydroxymethyl)piperidine-1-carbonyl]azetidine-1-carboxylate
CID 122152359
tert-butyl 7-tert-butyl-1,7-diazaspiro[3.5]nonane-1-carboxylate
CID 134506707
1-O-tert-butyl 2-O-(chloromethyl) (2S)-azetidine-1,2-dicarboxylate
CID 171393356
1-O-tert-butyl 2-O-ethyl (2R)-azetidine-1,2-dicarboxylate
CID 86335614
tert-butyl 7-bromo-1-azaspiro[3.5]nonane-1-carboxylate
CID 155894832

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate (CID 126816753) is tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)N1CCC12COC2.
What is the InChIKey of tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate?
The InChIKey is UCKYBMSDEKBTIK-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-13(2,3)20-12(18)15-6-4-10(15)11(17)16-7-5-14(16)8-19-9-14/h10H,4-9H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate?
tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.00, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(6-oxa-1-azaspiro[3.3]heptane-1-carbonyl)azetidine-1-carboxylate is sourced from PubChem (CID 126816753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).