2-azido-3,4-dihydroxybutanoic acid

C4H7N3O4 — CID 122531609

IUPAC2-azido-3,4-dihydroxybutanoic acid
SMILES[N-]=[N+]=NC(C(=O)O)C(O)CO
InChIInChI=1S/C4H7N3O4/c5-7-6-3(4(10)11)2(9)1-8/h2-3,8-9H,1H2,(H,10,11)
InChIKeyQKQUTTHHXLEUIK-UHFFFAOYSA-N
MW161.12 g/mol
LogP-0.90
Rot. Bonds4

About 2-azido-3,4-dihydroxybutanoic acid

2-azido-3,4-dihydroxybutanoic acid (PubChem CID 122531609) has the molecular formula C4H7N3O4 and a molecular weight of 161.12 g/mol. Its IUPAC name is 2-azido-3,4-dihydroxybutanoic acid.

Molecular Properties

Compound Name2-azido-3,4-dihydroxybutanoic acid
PubChem CID122531609
Molecular FormulaC4H7N3O4
Molecular Weight161.12 g/mol
Exact Mass161.04
IUPAC Name2-azido-3,4-dihydroxybutanoic acid
SMILES[N-]=[N+]=NC(C(=O)O)C(O)CO
InChIInChI=1S/C4H7N3O4/c5-7-6-3(4(10)11)2(9)1-8/h2-3,8-9H,1H2,(H,10,11)
InChIKeyQKQUTTHHXLEUIK-UHFFFAOYSA-N
XLogP-0.90
TPSA126.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.12
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-azido-3,4-dihydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-2-azido-3-hydroxyhexanoic acid
CID 101025142
(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
CID 175892963
2-azido-3-hydroxypropanoic acid
CID 54415353
(2R,3S)-3-azidobutane-1,2,4-triol
CID 101049712
2-azidopropanoic acid
CID 14720889
2-azido-3,4,5,6-tetrahydroxyhexanal
CID 22327929
(3S,4S)-3-azido-4,5-dihydroxypentanal
CID 91421144
(2S)-2-azido-3,3-bis(4-chlorophenyl)propanoic acid
CID 86726383
(2S,3R)-2-azido-3-ethyl-5,5,5-trifluoropentanoic acid
CID 86594490
2-acetyl-4-azido-2,3,5,6-tetrahydroxyhexanal
CID 175317936
(2S)-3-amino-2-azidopropanoic acid
CID 11579126
3-azidopentanedioic acid
CID 150148119

Frequently Asked Questions

What is the IUPAC name of 2-azido-3,4-dihydroxybutanoic acid?
The IUPAC name of 2-azido-3,4-dihydroxybutanoic acid (CID 122531609) is 2-azido-3,4-dihydroxybutanoic acid.
What is the SMILES notation for 2-azido-3,4-dihydroxybutanoic acid?
The canonical SMILES for 2-azido-3,4-dihydroxybutanoic acid is [N-]=[N+]=NC(C(=O)O)C(O)CO.
What is the InChIKey of 2-azido-3,4-dihydroxybutanoic acid?
The InChIKey is QKQUTTHHXLEUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O4/c5-7-6-3(4(10)11)2(9)1-8/h2-3,8-9H,1H2,(H,10,11).
What are the key properties of 2-azido-3,4-dihydroxybutanoic acid?
2-azido-3,4-dihydroxybutanoic acid has a molecular weight of 161.12 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3,4-dihydroxybutanoic acid is sourced from PubChem (CID 122531609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).