ethyl (2R,3R)-3-azido-2-hydroxybutanoate

C6H11N3O3 — CID 10866810

IUPACethyl (2R,3R)-3-azido-2-hydroxybutanoate
SMILESCCOC(=O)[C@H](O)[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O3/c1-3-12-6(11)5(10)4(2)8-9-7/h4-5,10H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyXZQQQKUVQOEFKJ-RFZPGFLSSA-N
MW173.17 g/mol
LogP0.61
Rot. Bonds4

About ethyl (2R,3R)-3-azido-2-hydroxybutanoate

ethyl (2R,3R)-3-azido-2-hydroxybutanoate (PubChem CID 10866810) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl (2R,3R)-3-azido-2-hydroxybutanoate.

Molecular Properties

Compound Nameethyl (2R,3R)-3-azido-2-hydroxybutanoate
PubChem CID10866810
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Nameethyl (2R,3R)-3-azido-2-hydroxybutanoate
SMILESCCOC(=O)[C@H](O)[C@@H](C)N=[N+]=[N-]
InChIInChI=1S/C6H11N3O3/c1-3-12-6(11)5(10)4(2)8-9-7/h4-5,10H,3H2,1-2H3/t4-,5-/m1/s1
InChIKeyXZQQQKUVQOEFKJ-RFZPGFLSSA-N
XLogP0.61
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.61
H-Bond Donors ≤ 51
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'}

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Related Compounds

ethyl (2R,3S)-3-azido-2-hydroxy-5-methylhexanoate
CID 10889285
tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
CID 10655692
ethyl (2S)-2-azidopropanoate
CID 15266179
diethyl (2S,3R)-2-hydroxy-3-methylbutanedioate
CID 2192560
diethyl (2S,3S)-2-hydroxy-3-methylbutanedioate
CID 2192559
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
3-azido-1,1-diethoxybutan-2-ol
CID 14604202
ethyl (2S,3S)-2-hydroxy-3-methyl-4-oxopentanoate
CID 124636599
(2S)-2-amino-3-azidobutanoic acid
CID 140958168
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
ethyl (2R,3S)-3-hydroxy-2-methyl-4-oxopentanoate
CID 58991559

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3R)-3-azido-2-hydroxybutanoate?
The IUPAC name of ethyl (2R,3R)-3-azido-2-hydroxybutanoate (CID 10866810) is ethyl (2R,3R)-3-azido-2-hydroxybutanoate.
What is the SMILES notation for ethyl (2R,3R)-3-azido-2-hydroxybutanoate?
The canonical SMILES for ethyl (2R,3R)-3-azido-2-hydroxybutanoate is CCOC(=O)[C@H](O)[C@@H](C)N=[N+]=[N-].
What is the InChIKey of ethyl (2R,3R)-3-azido-2-hydroxybutanoate?
The InChIKey is XZQQQKUVQOEFKJ-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-3-12-6(11)5(10)4(2)8-9-7/h4-5,10H,3H2,1-2H3/t4-,5-/m1/s1.
What are the key properties of ethyl (2R,3R)-3-azido-2-hydroxybutanoate?
ethyl (2R,3R)-3-azido-2-hydroxybutanoate has a molecular weight of 173.17 g/mol, XLogP of 0.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3R)-3-azido-2-hydroxybutanoate is sourced from PubChem (CID 10866810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).