acetyloxymethoxymethanimidate

C4H6NO4- — CID 162078063

IUPACacetyloxymethoxymethanimidate
SMILES[H]/N=C(\[O-])OCOC(C)=O
InChIInChI=1S/C4H7NO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3,(H2,5,7)/p-1
InChIKeyZBYUCHKNRQMUCB-UHFFFAOYSA-M
MW132.09 g/mol
LogP-1.18
Rot. Bonds2

About acetyloxymethoxymethanimidate

acetyloxymethoxymethanimidate (PubChem CID 162078063) has the molecular formula C4H6NO4- and a molecular weight of 132.09 g/mol. Its IUPAC name is acetyloxymethoxymethanimidate.

Molecular Properties

Compound Nameacetyloxymethoxymethanimidate
PubChem CID162078063
Molecular FormulaC4H6NO4-
Molecular Weight132.09 g/mol
Exact Mass132.03
IUPAC Nameacetyloxymethoxymethanimidate
SMILES[H]/N=C(\[O-])OCOC(C)=O
InChIInChI=1S/C4H7NO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3,(H2,5,7)/p-1
InChIKeyZBYUCHKNRQMUCB-UHFFFAOYSA-M
XLogP-1.18
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.09
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

acetyloxymethyl acetate;azane
CID 172795061
acetic acid;acetyloxymethyl acetate
CID 175421869
bis(acetyloxymethyl) propanedioate
CID 59124845
3-iminobutyl acetate
CID 163586069
(2-amino-2-iminoethyl) acetate;hydrochloride
CID 172736358
4-[carbamimidoyl(methyl)amino]butyl acetate
CID 54284937
ethanimidamide;titanium(4+);tetraacetate
CID 158045448
acetyl acetate;acetyloxymethyl acetate;hydroxymethyl acetate
CID 158119502
acetyloxymethoxymethanedithioic acid
CID 175203705
acetyloxymethyl 4-oxopentanoate
CID 88539026
acetic acid;1-amino-1-ethylguanidine
CID 174864621
(4-acetyloxy-2,3-dioxobutyl) acetate
CID 10679601

Frequently Asked Questions

What is the IUPAC name of acetyloxymethoxymethanimidate?
The IUPAC name of acetyloxymethoxymethanimidate (CID 162078063) is acetyloxymethoxymethanimidate.
What is the SMILES notation for acetyloxymethoxymethanimidate?
The canonical SMILES for acetyloxymethoxymethanimidate is [H]/N=C(\[O-])OCOC(C)=O.
What is the InChIKey of acetyloxymethoxymethanimidate?
The InChIKey is ZBYUCHKNRQMUCB-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H7NO4/c1-3(6)8-2-9-4(5)7/h2H2,1H3,(H2,5,7)/p-1.
What are the key properties of acetyloxymethoxymethanimidate?
acetyloxymethoxymethanimidate has a molecular weight of 132.09 g/mol, XLogP of -1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxymethoxymethanimidate is sourced from PubChem (CID 162078063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).