tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate

C14H25NO3 — CID 66662740

IUPACtert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate
SMILESCC1OC2(CCN(C(=O)OC(C)(C)C)C2)C1(C)C
InChIInChI=1S/C14H25NO3/c1-10-13(5,6)14(17-10)7-8-15(9-14)11(16)18-12(2,3)4/h10H,7-9H2,1-6H3
InChIKeyFBMXNAMVZBEQGL-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.81
Rot. Bonds

About tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate

tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate (PubChem CID 66662740) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate
PubChem CID66662740
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate
SMILESCC1OC2(CCN(C(=O)OC(C)(C)C)C2)C1(C)C
InChIInChI=1S/C14H25NO3/c1-10-13(5,6)14(17-10)7-8-15(9-14)11(16)18-12(2,3)4/h10H,7-9H2,1-6H3
InChIKeyFBMXNAMVZBEQGL-UHFFFAOYSA-N
XLogP2.81
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The IUPAC name of tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate (CID 66662740) is tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate is CC1OC2(CCN(C(=O)OC(C)(C)C)C2)C1(C)C.
What is the InChIKey of tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate?
The InChIKey is FBMXNAMVZBEQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-13(5,6)14(17-10)7-8-15(9-14)11(16)18-12(2,3)4/h10H,7-9H2,1-6H3.
What are the key properties of tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate?
tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2,3,3-trimethyl-1-oxa-7-azaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 66662740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).