(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid

C4H7NO6 — CID 89355402

IUPAC(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESNOC(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H7NO6/c5-11-4(10)2(7)1(6)3(8)9/h1-2,6-7H,5H2,(H,8,9)/t1-,2-/m1/s1
InChIKeyQHGBMBCKYOFOBZ-JCYAYHJZSA-N
MW165.10 g/mol
LogP-2.79
Rot. Bonds3

About (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid

(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid (PubChem CID 89355402) has the molecular formula C4H7NO6 and a molecular weight of 165.10 g/mol. Its IUPAC name is (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
PubChem CID89355402
Molecular FormulaC4H7NO6
Molecular Weight165.10 g/mol
Exact Mass165.03
IUPAC Name(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
SMILESNOC(=O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C4H7NO6/c5-11-4(10)2(7)1(6)3(8)9/h1-2,6-7H,5H2,(H,8,9)/t1-,2-/m1/s1
InChIKeyQHGBMBCKYOFOBZ-JCYAYHJZSA-N
XLogP-2.79
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.10
LogP ≤ 5-2.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
CID 174636110
4-arsanyloxy-2,3-dihydroxy-4-oxobutanoic acid
CID 173073115
CID 88745910
CID 88745910
2,3-dihydroxybutanedioic acid;rhodium
CID 88806318
alumane;2,3-dihydroxybutanedioic acid
CID 173001814
azane;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 175972290
CID 175721627
CID 175721627
(2R,3S)-2,3-dihydroxybutanedioic acid;zinc
CID 175911129
2,3-dihydroxybutanedioic acid;iron(2+)
CID 3083786
2,3-dihydroxybutanedioic acid;bis(oxovanadium)
CID 174653696
sodium;boranuide;2,3-dihydroxybutanedioic acid
CID 175293038
copper;2,3-dihydroxybutanedioic acid;zirconium
CID 174738764

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid?
The IUPAC name of (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid (CID 89355402) is (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid.
What is the SMILES notation for (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid?
The canonical SMILES for (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid is NOC(=O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid?
The InChIKey is QHGBMBCKYOFOBZ-JCYAYHJZSA-N. The full InChI is InChI=1S/C4H7NO6/c5-11-4(10)2(7)1(6)3(8)9/h1-2,6-7H,5H2,(H,8,9)/t1-,2-/m1/s1.
What are the key properties of (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid?
(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid has a molecular weight of 165.10 g/mol, XLogP of -2.79, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid is sourced from PubChem (CID 89355402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).