4-(carboniodidoylamino)-4-oxobutanoic acid

C5H6INO4 — CID 88991894

IUPAC4-(carboniodidoylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)I
InChIInChI=1S/C5H6INO4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H2,(H,9,10)(H,7,8,11)
InChIKeyFYGVYZPGPLULHZ-UHFFFAOYSA-N
MW271.01 g/mol
LogP0.52
Rot. Bonds3

About 4-(carboniodidoylamino)-4-oxobutanoic acid

4-(carboniodidoylamino)-4-oxobutanoic acid (PubChem CID 88991894) has the molecular formula C5H6INO4 and a molecular weight of 271.01 g/mol. Its IUPAC name is 4-(carboniodidoylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(carboniodidoylamino)-4-oxobutanoic acid
PubChem CID88991894
Molecular FormulaC5H6INO4
Molecular Weight271.01 g/mol
Exact Mass270.93
IUPAC Name4-(carboniodidoylamino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NC(=O)I
InChIInChI=1S/C5H6INO4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H2,(H,9,10)(H,7,8,11)
InChIKeyFYGVYZPGPLULHZ-UHFFFAOYSA-N
XLogP0.52
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.01
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-(2-hydroxyacetyl)carbamoyl iodide
CID 88991853
6-(carboniodidoylamino)hept-6-enoic acid
CID 88991839
bis(butanedioic acid);carbonic acid
CID 159577506
butanedioic acid;hydrochloride
CID 87113713
bis(butanedioic acid);silane
CID 173419629
trisodium;butanedioic acid
CID 175698490
azane;butanedioic acid
CID 87070561
potassium;4-(bromoamino)-4-oxobutanoic acid;hydride
CID 173348055
4-oxo-4-[[(2E)-penta-2,4-dien-2-yl]amino]butanoic acid
CID 166824221
4-(2,2-dimethylpropylcarbamoylamino)-4-oxobutanoic acid
CID 61166887
bis(butanedioic acid);hydroxylamine
CID 174855273
butanedioic acid;ethene
CID 87532899

Frequently Asked Questions

What is the IUPAC name of 4-(carboniodidoylamino)-4-oxobutanoic acid?
The IUPAC name of 4-(carboniodidoylamino)-4-oxobutanoic acid (CID 88991894) is 4-(carboniodidoylamino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(carboniodidoylamino)-4-oxobutanoic acid?
The canonical SMILES for 4-(carboniodidoylamino)-4-oxobutanoic acid is O=C(O)CCC(=O)NC(=O)I.
What is the InChIKey of 4-(carboniodidoylamino)-4-oxobutanoic acid?
The InChIKey is FYGVYZPGPLULHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6INO4/c6-5(11)7-3(8)1-2-4(9)10/h1-2H2,(H,9,10)(H,7,8,11).
What are the key properties of 4-(carboniodidoylamino)-4-oxobutanoic acid?
4-(carboniodidoylamino)-4-oxobutanoic acid has a molecular weight of 271.01 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboniodidoylamino)-4-oxobutanoic acid is sourced from PubChem (CID 88991894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).