tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate

C14H22N2O4 — CID 166115550

IUPACtert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESC=CC(=O)N1COC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C14H22N2O4/c1-5-11(17)16-9-14(19-10-16)6-7-15(8-14)12(18)20-13(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyYTBLGUJMEUYQJV-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.37
Rot. Bonds1

About tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate

tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate (PubChem CID 166115550) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
PubChem CID166115550
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Nametert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
SMILESC=CC(=O)N1COC2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C14H22N2O4/c1-5-11(17)16-9-14(19-10-16)6-7-15(8-14)12(18)20-13(2,3)4/h5H,1,6-10H2,2-4H3
InChIKeyYTBLGUJMEUYQJV-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-tert-butyl-6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 170651649
tert-butyl 3-methyl-2-oxo-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate
CID 176720221
methyl (2S)-3-methyl-2-[methyl-[(5R)-3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl]amino]butanoate
CID 166115516
methyl (2S)-3-methyl-2-[methyl-(3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carbonyl)amino]butanoate
CID 166115687
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-2-carboxylate
CID 82386799
tert-butyl (4S)-2,4-dimethyl-3-prop-2-enoyl-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxylate
CID 168983254
tert-butyl (5R)-3-bromo-1-oxa-2,7-diazaspiro[4.4]non-2-ene-7-carboxylate
CID 58134908
tert-butyl 2-(aminomethyl)-1-oxa-7-azaspiro[4.4]nonane-7-carboxylate
CID 121229920
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl 8-amino-6,10-dioxa-2-azaspiro[4.6]undecane-2-carboxylate
CID 178200490
tert-butyl 3-ethenyl-3-methylpiperidine-1-carboxylate
CID 123836479
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?
The IUPAC name of tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate (CID 166115550) is tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate.
What is the SMILES notation for tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?
The canonical SMILES for tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate is C=CC(=O)N1COC2(CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?
The InChIKey is YTBLGUJMEUYQJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-5-11(17)16-9-14(19-10-16)6-7-15(8-14)12(18)20-13(2,3)4/h5H,1,6-10H2,2-4H3.
What are the key properties of tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate?
tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate has a molecular weight of 282.34 g/mol, XLogP of 1.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-prop-2-enoyl-1-oxa-3,7-diazaspiro[4.4]nonane-7-carboxylate is sourced from PubChem (CID 166115550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).