ethyl 4-azido-3-hydroxybutanoate

C6H11N3O3 — CID 14685344

IUPACethyl 4-azido-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN=[N+]=[N-]
InChIInChI=1S/C6H11N3O3/c1-2-12-6(11)3-5(10)4-8-9-7/h5,10H,2-4H2,1H3
InChIKeyMTAYETVPZNVYFE-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.61
Rot. Bonds5

About ethyl 4-azido-3-hydroxybutanoate

ethyl 4-azido-3-hydroxybutanoate (PubChem CID 14685344) has the molecular formula C6H11N3O3 and a molecular weight of 173.17 g/mol. Its IUPAC name is ethyl 4-azido-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-azido-3-hydroxybutanoate
PubChem CID14685344
Molecular FormulaC6H11N3O3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC Nameethyl 4-azido-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CN=[N+]=[N-]
InChIInChI=1S/C6H11N3O3/c1-2-12-6(11)3-5(10)4-8-9-7/h5,10H,2-4H2,1H3
InChIKeyMTAYETVPZNVYFE-UHFFFAOYSA-N
XLogP0.61
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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 (3S)-4-azido-3-hydroxybutanoate
CID 10888398
ethyl 3-azido-2-hydroxypropanoate
CID 10888191
ethyl 4-azido-3-cyclopentylbutanoate
CID 86759177
methyl 3-azido-2-[(2-ethoxy-2-oxoethyl)amino]propanoate
CID 75040874
ethyl (3R)-4-azido-3-(prop-2-enoxycarbonylamino)butanoate
CID 54047072
ethyl 4-azido-3-benzhydrylsulfanylbutanoate
CID 139815541
ethyl 3-azido-2-(2,2,2-trifluoroethylamino)propanoate
CID 66427319
ethyl (3S)-3-hydroxy-4-isocyanobutanoate
CID 59043185
ethyl 4-azido-3,3-bis(azidomethyl)butanoate
CID 132548647
1-amino-3-azidopropan-2-ol
CID 150484023
[(2R)-4-ethoxy-2-hydroxy-4-oxobutyl]-trimethylazanium
CID 26730
ethyl 4-chloro-3-hydroxybutanoate;ethyl 4-chloro-3-oxobutanoate
CID 87378301

Frequently Asked Questions

What is the IUPAC name of ethyl 4-azido-3-hydroxybutanoate?
The IUPAC name of ethyl 4-azido-3-hydroxybutanoate (CID 14685344) is ethyl 4-azido-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-azido-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-azido-3-hydroxybutanoate is CCOC(=O)CC(O)CN=[N+]=[N-].
What is the InChIKey of ethyl 4-azido-3-hydroxybutanoate?
The InChIKey is MTAYETVPZNVYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O3/c1-2-12-6(11)3-5(10)4-8-9-7/h5,10H,2-4H2,1H3.
What are the key properties of ethyl 4-azido-3-hydroxybutanoate?
ethyl 4-azido-3-hydroxybutanoate has a molecular weight of 173.17 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-azido-3-hydroxybutanoate is sourced from PubChem (CID 14685344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).