tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate

C13H23NO3 — CID 59249544

IUPACtert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate
SMILESCCC1(C/C=N/CC(=O)OC(C)(C)C)COC1
InChIInChI=1S/C13H23NO3/c1-5-13(9-16-10-13)6-7-14-8-11(15)17-12(2,3)4/h7H,5-6,8-10H2,1-4H3/b14-7+
InChIKeyVCCDSEKKBWKIRJ-VGOFMYFVSA-N
MW241.33 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate

tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate (PubChem CID 59249544) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate
PubChem CID59249544
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Nametert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate
SMILESCCC1(C/C=N/CC(=O)OC(C)(C)C)COC1
InChIInChI=1S/C13H23NO3/c1-5-13(9-16-10-13)6-7-14-8-11(15)17-12(2,3)4/h7H,5-6,8-10H2,1-4H3/b14-7+
InChIKeyVCCDSEKKBWKIRJ-VGOFMYFVSA-N
XLogP2.22
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetic acid
CID 141301730
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopropyl]ethylideneamino]acetate
CID 59249507
tert-butyl 2-[2-(1-methylcyclohexyl)ethylideneamino]acetate
CID 59249351
tert-butyl 2-[2-[1-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohex-3-en-1-yl]ethylideneamino]acetate
CID 59249624
tert-butyl 2-[3-(1,3-dioxolan-2-yl)propylideneamino]acetate
CID 15882717
tert-butyl 3-(1-ethylcyclopropyl)propanoate
CID 166027705
tert-butyl 2-(3-ethylazetidin-3-yl)acetate
CID 118030861
tert-butyl 3-(4-ethylcyclohexyl)propanoate
CID 58103664
3-(bromomethyl)oxetane-3-carboxylic acid;tert-butyl 2-[3-(bromomethyl)oxetan-3-yl]acetate;2-methylpropan-2-ol
CID 162037567
tert-butyl 3-amino-3-(3-hydroxyoxetan-3-yl)propanoate
CID 163325198
tert-butyl N-[[3-(2-oxopropyl)oxetan-3-yl]methyl]carbamate
CID 90325385
tert-butyl N-[(4-ethyloxan-4-yl)methyl]carbamate
CID 130674392

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate?
The IUPAC name of tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate (CID 59249544) is tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate.
What is the SMILES notation for tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate?
The canonical SMILES for tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate is CCC1(C/C=N/CC(=O)OC(C)(C)C)COC1.
What is the InChIKey of tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate?
The InChIKey is VCCDSEKKBWKIRJ-VGOFMYFVSA-N. The full InChI is InChI=1S/C13H23NO3/c1-5-13(9-16-10-13)6-7-14-8-11(15)17-12(2,3)4/h7H,5-6,8-10H2,1-4H3/b14-7+.
What are the key properties of tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate?
tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate has a molecular weight of 241.33 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(3-ethyloxetan-3-yl)ethylideneamino]acetate is sourced from PubChem (CID 59249544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).