dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate

C6H9N3O5 — CID 14249484

IUPACdimethyl (2R,3R)-2-azido-3-hydroxybutanedioate
SMILESCOC(=O)[C@H](O)[C@@H](N=[N+]=[N-])C(=O)OC
InChIInChI=1S/C6H9N3O5/c1-13-5(11)3(8-9-7)4(10)6(12)14-2/h3-4,10H,1-2H3/t3-,4-/m1/s1
InChIKeyBQHLRWYSFHMXFT-QWWZWVQMSA-N
MW203.15 g/mol
LogP-0.63
Rot. Bonds4

About dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate

dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate (PubChem CID 14249484) has the molecular formula C6H9N3O5 and a molecular weight of 203.15 g/mol. Its IUPAC name is dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate.

Molecular Properties

Compound Namedimethyl (2R,3R)-2-azido-3-hydroxybutanedioate
PubChem CID14249484
Molecular FormulaC6H9N3O5
Molecular Weight203.15 g/mol
Exact Mass203.05
IUPAC Namedimethyl (2R,3R)-2-azido-3-hydroxybutanedioate
SMILESCOC(=O)[C@H](O)[C@@H](N=[N+]=[N-])C(=O)OC
InChIInChI=1S/C6H9N3O5/c1-13-5(11)3(8-9-7)4(10)6(12)14-2/h3-4,10H,1-2H3/t3-,4-/m1/s1
InChIKeyBQHLRWYSFHMXFT-QWWZWVQMSA-N
XLogP-0.63
TPSA121.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.15
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

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methyl (2S,3S)-3-amino-2-azido-4-cyclohexylbutanoate;hydrochloride
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dimethyl (2S)-2-azidobutanedioate
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(3S)-2-azido-3-hydroxy-4-methoxybutanoic acid
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methyl 2-azidohexanoate
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Frequently Asked Questions

What is the IUPAC name of dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate?
The IUPAC name of dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate (CID 14249484) is dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate.
What is the SMILES notation for dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate?
The canonical SMILES for dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate is COC(=O)[C@H](O)[C@@H](N=[N+]=[N-])C(=O)OC.
What is the InChIKey of dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate?
The InChIKey is BQHLRWYSFHMXFT-QWWZWVQMSA-N. The full InChI is InChI=1S/C6H9N3O5/c1-13-5(11)3(8-9-7)4(10)6(12)14-2/h3-4,10H,1-2H3/t3-,4-/m1/s1.
What are the key properties of dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate?
dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate has a molecular weight of 203.15 g/mol, XLogP of -0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (2R,3R)-2-azido-3-hydroxybutanedioate is sourced from PubChem (CID 14249484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).