4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid

C7H10N2O6 — CID 91339210

IUPAC4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid
SMILESNOC(=O)/C(CC(=O)O)=N/CCC(=O)O
InChIInChI=1S/C7H10N2O6/c8-15-7(14)4(3-6(12)13)9-2-1-5(10)11/h1-3,8H2,(H,10,11)(H,12,13)/b9-4+
InChIKeyONMKFZGGKQCLTP-RUDMXATFSA-N
MW218.16 g/mol
LogP-1.21
Rot. Bonds6

About 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid

4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid (PubChem CID 91339210) has the molecular formula C7H10N2O6 and a molecular weight of 218.16 g/mol. Its IUPAC name is 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid
PubChem CID91339210
Molecular FormulaC7H10N2O6
Molecular Weight218.16 g/mol
Exact Mass218.05
IUPAC Name4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid
SMILESNOC(=O)/C(CC(=O)O)=N/CCC(=O)O
InChIInChI=1S/C7H10N2O6/c8-15-7(14)4(3-6(12)13)9-2-1-5(10)11/h1-3,8H2,(H,10,11)(H,12,13)/b9-4+
InChIKeyONMKFZGGKQCLTP-RUDMXATFSA-N
XLogP-1.21
TPSA139.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.16
LogP ≤ 5-1.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[amino(hydrazinyl)methylidene]amino]propanoic acid
CID 10558754
3-[(1-amino-2-methylpropylidene)amino]propanoic acid;hydrochloride
CID 174613902
3-[[amino-(2-aminoethylsulfanylamino)methylidene]amino]propanoic acid
CID 118493111
sodium;butanedioic acid;hydride;2-hydroxyiminobutanedioic acid
CID 172995218
2-aminooxy-2-oxoacetic acid;propanoic acid
CID 174645946
4-aminooxybutanoic acid;hydrochloride
CID 71361272
3-oxohexanedioic acid;sulfane
CID 174916165
3-[[amino-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methylidene]amino]propanoic acid
CID 87809677
bis(butanedioic acid);hydroxylamine
CID 174855273
3-[[1-amino-3-[[3-amino-3-(2-carboxyethylimino)-2-methylpropyl]diazenyl]-2-methylpropylidene]amino]propanoic acid;hydrate
CID 175948850
CID 87067075
CID 87067075
hydroxylamine;propanedioic acid;vanadium
CID 174908586

Frequently Asked Questions

What is the IUPAC name of 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid?
The IUPAC name of 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid (CID 91339210) is 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid.
What is the SMILES notation for 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid?
The canonical SMILES for 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid is NOC(=O)/C(CC(=O)O)=N/CCC(=O)O.
What is the InChIKey of 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid?
The InChIKey is ONMKFZGGKQCLTP-RUDMXATFSA-N. The full InChI is InChI=1S/C7H10N2O6/c8-15-7(14)4(3-6(12)13)9-2-1-5(10)11/h1-3,8H2,(H,10,11)(H,12,13)/b9-4+.
What are the key properties of 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid?
4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid has a molecular weight of 218.16 g/mol, XLogP of -1.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminooxy-3-(2-carboxyethylimino)-4-oxobutanoic acid is sourced from PubChem (CID 91339210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).