tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate

C14H24N2O4 — CID 142435503

IUPACtert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=NOCC2CCCCO2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(17)16-8-11(9-16)15-19-10-12-6-4-5-7-18-12/h12H,4-10H2,1-3H3
InChIKeyKACLIOGKWIFBJE-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.18
Rot. Bonds3

About tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate

tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate (PubChem CID 142435503) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate
PubChem CID142435503
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Nametert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(=NOCC2CCCCO2)C1
InChIInChI=1S/C14H24N2O4/c1-14(2,3)20-13(17)16-8-11(9-16)15-19-10-12-6-4-5-7-18-12/h12H,4-10H2,1-3H3
InChIKeyKACLIOGKWIFBJE-UHFFFAOYSA-N
XLogP2.18
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-[methyl(oxan-2-ylmethyl)carbamoyl]azetidine-1-carboxylate
CID 142434776
tert-butyl 4-[N'-[3-(oxan-2-yl)propyl]carbamimidoyl]piperazine-1-carboxylate
CID 110033289
tert-butyl 6-(oxolan-2-ylmethylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 107238502
tert-butyl 4-oxo-3-[2-(oxolan-2-yl)ethyl]piperidine-1-carboxylate
CID 114451455
tert-butyl 4-[[(2R)-oxolan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 41242425
tert-butyl 7-ethyl-1,4-oxazepane-4-carboxylate
CID 159190237
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548
2-[4-[(2-methylpropan-2-yl)oxycarbonyl]-1,4-oxazepan-2-yl]acetic acid
CID 177337580
2-methyl-2-(oxan-2-ylmethoxy)propanoic acid
CID 82238709
tert-butyl 2-[(oxan-2-ylmethylamino)methyl]piperidine-1-carboxylate
CID 106633797
tert-butyl (3R,4R)-3-hydroxy-4-(oxolan-2-ylmethylsulfanyl)pyrrolidine-1-carboxylate
CID 126847601
tert-butyl N-[2-[[N-methyl-C-[4-(oxan-2-ylmethoxy)piperidin-1-yl]carbonimidoyl]amino]ethyl]carbamate;hydroiodide
CID 109449672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate (CID 142435503) is tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(=NOCC2CCCCO2)C1.
What is the InChIKey of tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate?
The InChIKey is KACLIOGKWIFBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(2,3)20-13(17)16-8-11(9-16)15-19-10-12-6-4-5-7-18-12/h12H,4-10H2,1-3H3.
What are the key properties of tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate?
tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate has a molecular weight of 284.36 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(oxan-2-ylmethoxyimino)azetidine-1-carboxylate is sourced from PubChem (CID 142435503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).