methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate

C8H14N2O6 — CID 57194355

IUPACmethyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate
SMILESCOC(=O)CCONC=COC(=O)CON
InChIInChI=1S/C8H14N2O6/c1-13-7(11)2-4-16-10-3-5-14-8(12)6-15-9/h3,5,10H,2,4,6,9H2,1H3
InChIKeyRSFSSWNKBLNLSH-UHFFFAOYSA-N
MW234.21 g/mol
LogP-1.02
Rot. Bonds8

About methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate

methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate (PubChem CID 57194355) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate
PubChem CID57194355
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Namemethyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate
SMILESCOC(=O)CCONC=COC(=O)CON
InChIInChI=1S/C8H14N2O6/c1-13-7(11)2-4-16-10-3-5-14-8(12)6-15-9/h3,5,10H,2,4,6,9H2,1H3
InChIKeyRSFSSWNKBLNLSH-UHFFFAOYSA-N
XLogP-1.02
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate?
The IUPAC name of methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate (CID 57194355) is methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate.
What is the SMILES notation for methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate?
The canonical SMILES for methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate is COC(=O)CCONC=COC(=O)CON.
What is the InChIKey of methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate?
The InChIKey is RSFSSWNKBLNLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-13-7(11)2-4-16-10-3-5-14-8(12)6-15-9/h3,5,10H,2,4,6,9H2,1H3.
What are the key properties of methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate?
methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate has a molecular weight of 234.21 g/mol, XLogP of -1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-aminooxyacetyl)oxyethenylamino]oxypropanoate is sourced from PubChem (CID 57194355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).