tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate

C8H15N3O3 — CID 10655692

IUPACtert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
SMILESC[C@H](N=[N+]=[N-])[C@@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15N3O3/c1-5(10-11-9)6(12)7(13)14-8(2,3)4/h5-6,12H,1-4H3/t5-,6+/m0/s1
InChIKeyUPPKQKPJXFAFPM-NTSWFWBYSA-N
MW201.23 g/mol
LogP1.39
Rot. Bonds3

About tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate

tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate (PubChem CID 10655692) has the molecular formula C8H15N3O3 and a molecular weight of 201.23 g/mol. Its IUPAC name is tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate.

Molecular Properties

Compound Nametert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
PubChem CID10655692
Molecular FormulaC8H15N3O3
Molecular Weight201.23 g/mol
Exact Mass201.11
IUPAC Nametert-butyl (2R,3S)-3-azido-2-hydroxybutanoate
SMILESC[C@H](N=[N+]=[N-])[C@@H](O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15N3O3/c1-5(10-11-9)6(12)7(13)14-8(2,3)4/h5-6,12H,1-4H3/t5-,6+/m0/s1
InChIKeyUPPKQKPJXFAFPM-NTSWFWBYSA-N
XLogP1.39
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.39
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,3R)-3-azido-2-hydroxybutanoate
CID 10866810
tert-butyl (2S,3R)-2-azido-3-hydroxybutanoate;molecular fluorine;hydrofluoride
CID 167697350
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
tert-butyl (2S,3S)-2,3-dihydroxybutanoate
CID 24741378
(2S,3S)-3-azido-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 155209949
tert-butyl (2S)-2-(2-diazohydrazinyl)propanoate
CID 21122078
tert-butyl 4-azido-2-methylbutanoate
CID 150269304
[(2S,3S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxy]-4-oxobutan-2-yl]azanium
CID 7009962
tert-butyl (3S)-2-hydroxy-4-methyl-3-(methylamino)pentanoate
CID 87855920
tert-butyl N-(2-azidopropyl)carbamate
CID 23122173
(2S)-2-amino-3-azidobutanoic acid
CID 140958168
tert-butyl (2R,3S)-2-amino-3-hydroxybutanoate
CID 6941814

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate?
The IUPAC name of tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate (CID 10655692) is tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate.
What is the SMILES notation for tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate?
The canonical SMILES for tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate is C[C@H](N=[N+]=[N-])[C@@H](O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate?
The InChIKey is UPPKQKPJXFAFPM-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H15N3O3/c1-5(10-11-9)6(12)7(13)14-8(2,3)4/h5-6,12H,1-4H3/t5-,6+/m0/s1.
What are the key properties of tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate?
tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate has a molecular weight of 201.23 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3S)-3-azido-2-hydroxybutanoate is sourced from PubChem (CID 10655692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).