tert-butyl 2-(methyliminomethylamino)oxyacetate

C8H16N2O3 — CID 142470538

IUPACtert-butyl 2-(methyliminomethylamino)oxyacetate
SMILESC/N=C/NOCC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)5-12-10-6-9-4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyNIGXFUYBMYUOMS-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.51
Rot. Bonds4

About tert-butyl 2-(methyliminomethylamino)oxyacetate

tert-butyl 2-(methyliminomethylamino)oxyacetate (PubChem CID 142470538) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is tert-butyl 2-(methyliminomethylamino)oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-(methyliminomethylamino)oxyacetate
PubChem CID142470538
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nametert-butyl 2-(methyliminomethylamino)oxyacetate
SMILESC/N=C/NOCC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)5-12-10-6-9-4/h6H,5H2,1-4H3,(H,9,10)
InChIKeyNIGXFUYBMYUOMS-UHFFFAOYSA-N
XLogP0.51
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 2-(ethylcarbamoylamino)oxyacetate
CID 86658798
N-(2-formamidoethyl)-2-(methyliminomethylamino)oxyacetamide
CID 142470512
tert-butyl 2-(2-oxoethoxy)acetate
CID 170899308
tert-butyl 3-amino-3-hydroxyiminopropanoate
CID 76589802
3-O-tert-butyl 1-O-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoyl] propanedioate
CID 141468751
tert-butyl 3-amino-3-methyliminopropanoate;ethane
CID 142912028
tert-butyl 2-(2,2-dimethylpropoxy)acetate
CID 158641779
lithium;potassium;hydride;3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 174967926
2-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]imino-3-oxobutanoic acid
CID 56999055
tert-butyl 3-oxo-4-propan-2-yloxybutanoate
CID 57444543
tert-butyl 3-oxobutanoate;zirconium(4+)
CID 175741661
tert-butyl 2-formamidoacetate
CID 11469223

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(methyliminomethylamino)oxyacetate?
The IUPAC name of tert-butyl 2-(methyliminomethylamino)oxyacetate (CID 142470538) is tert-butyl 2-(methyliminomethylamino)oxyacetate.
What is the SMILES notation for tert-butyl 2-(methyliminomethylamino)oxyacetate?
The canonical SMILES for tert-butyl 2-(methyliminomethylamino)oxyacetate is C/N=C/NOCC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(methyliminomethylamino)oxyacetate?
The InChIKey is NIGXFUYBMYUOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-8(2,3)13-7(11)5-12-10-6-9-4/h6H,5H2,1-4H3,(H,9,10).
What are the key properties of tert-butyl 2-(methyliminomethylamino)oxyacetate?
tert-butyl 2-(methyliminomethylamino)oxyacetate has a molecular weight of 188.23 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(methyliminomethylamino)oxyacetate is sourced from PubChem (CID 142470538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).