(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium

C4H8N2O3 — CID 175427348

IUPAC(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium
SMILESCOC(=O)C/N=[N+](\C)[O-]
InChIInChI=1S/C4H8N2O3/c1-6(8)5-3-4(7)9-2/h3H2,1-2H3/b6-5+
InChIKeyFFFQXWMUMVYFGN-AATRIKPKSA-N
MW132.12 g/mol
LogP-0.25
Rot. Bonds2

About (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium

(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium (PubChem CID 175427348) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium.

Molecular Properties

Compound Name(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium
PubChem CID175427348
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium
SMILESCOC(=O)C/N=[N+](\C)[O-]
InChIInChI=1S/C4H8N2O3/c1-6(8)5-3-4(7)9-2/h3H2,1-2H3/b6-5+
InChIKeyFFFQXWMUMVYFGN-AATRIKPKSA-N
XLogP-0.25
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

acetyloxymethylimino-methyl-oxidoazanium
CID 11606
butane;methyl 2-nitrosoacetate
CID 142212334
methyl (E,5R)-5-nitrohex-3-enoate
CID 10725880
4-methoxy-4-oxobutanoate
CID 6930703
CID 87726616
CID 87726616
methyl (Z)-5-methylhex-3-enoate
CID 117268010
methyl 2-[[4-(2-methoxy-2-oxoethyl)iminocyclohexa-2,5-dien-1-ylidene]amino]acetate
CID 101059207
dimethyl 2-oxopentanedioate
CID 25775
dimethyl 2-oxo(1,2,3,4,5-13C5)pentanedioate
CID 134715323
sodium 2-methoxy-2-oxoethanolate
CID 23673095
methyl (E)-5-nitropent-4-enoate
CID 135012447
dimethyl (4E)-4-hydroxyimino-2-nitroheptanedioate
CID 10989073

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium?
The IUPAC name of (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium (CID 175427348) is (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium.
What is the SMILES notation for (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium?
The canonical SMILES for (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium is COC(=O)C/N=[N+](\C)[O-].
What is the InChIKey of (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium?
The InChIKey is FFFQXWMUMVYFGN-AATRIKPKSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-6(8)5-3-4(7)9-2/h3H2,1-2H3/b6-5+.
What are the key properties of (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium?
(2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium has a molecular weight of 132.12 g/mol, XLogP of -0.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-2-oxoethyl)imino-methyl-oxidoazanium is sourced from PubChem (CID 175427348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).