3-hydroxy-2-(2-oxohydrazinyl)butanoic acid

C4H8N2O4 — CID 134347170

IUPAC3-hydroxy-2-(2-oxohydrazinyl)butanoic acid
SMILESCC(O)C(NN=O)C(=O)O
InChIInChI=1S/C4H8N2O4/c1-2(7)3(4(8)9)5-6-10/h2-3,7H,1H3,(H,5,10)(H,8,9)
InChIKeyXJJSXZRVCXFOEN-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.91
Rot. Bonds4

About 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid

3-hydroxy-2-(2-oxohydrazinyl)butanoic acid (PubChem CID 134347170) has the molecular formula C4H8N2O4 and a molecular weight of 148.12 g/mol. Its IUPAC name is 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-(2-oxohydrazinyl)butanoic acid
PubChem CID134347170
Molecular FormulaC4H8N2O4
Molecular Weight148.12 g/mol
Exact Mass148.05
IUPAC Name3-hydroxy-2-(2-oxohydrazinyl)butanoic acid
SMILESCC(O)C(NN=O)C(=O)O
InChIInChI=1S/C4H8N2O4/c1-2(7)3(4(8)9)5-6-10/h2-3,7H,1H3,(H,5,10)(H,8,9)
InChIKeyXJJSXZRVCXFOEN-UHFFFAOYSA-N
XLogP-0.91
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-hydroxy-2-(methylamino)butanoic acid
CID 130189259
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
(3R)-2-formamido-3-hydroxybutanoic acid
CID 154963962
(2S,3R)-3-hydroxy-2-(hydroxymethylamino)butanoic acid
CID 54383324
(2S,3R)-3-hydroxy-2-(sulfanylmethylamino)butanoic acid
CID 87314479
(2S)-3-hydroxy-2-(2-methylpropylamino)butanoic acid
CID 139430355
(2S,3R)-2-(butan-2-ylcarbamoylamino)-3-hydroxybutanoic acid
CID 104965693
CID 129137181
CID 129137181
(2S,3R)-3-hydroxy-2-[[(2S)-2-(hydroxyamino)propanoyl]amino]butanoic acid
CID 175946093
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843
(2S,3R)-3-hydroxy-2-(2-oxoethylamino)butanoic acid
CID 88693917
(2S,3R)-3-hydroxy-2-(methoxycarbonylamino)butanoic acid;methane;sulfane
CID 161287453

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid?
The IUPAC name of 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid (CID 134347170) is 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid.
What is the SMILES notation for 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid?
The canonical SMILES for 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid is CC(O)C(NN=O)C(=O)O.
What is the InChIKey of 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid?
The InChIKey is XJJSXZRVCXFOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O4/c1-2(7)3(4(8)9)5-6-10/h2-3,7H,1H3,(H,5,10)(H,8,9).
What are the key properties of 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid?
3-hydroxy-2-(2-oxohydrazinyl)butanoic acid has a molecular weight of 148.12 g/mol, XLogP of -0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-oxohydrazinyl)butanoic acid is sourced from PubChem (CID 134347170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).