ethyl 3-azido-2-hydroxypropanoate

C5H9N3O3 — CID 10888191

IUPACethyl 3-azido-2-hydroxypropanoate
SMILESCCOC(=O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C5H9N3O3/c1-2-11-5(10)4(9)3-7-8-6/h4,9H,2-3H2,1H3
InChIKeyJWDVPDQIXXHLCY-UHFFFAOYSA-N
MW159.14 g/mol
LogP0.22
Rot. Bonds4

About ethyl 3-azido-2-hydroxypropanoate

ethyl 3-azido-2-hydroxypropanoate (PubChem CID 10888191) has the molecular formula C5H9N3O3 and a molecular weight of 159.14 g/mol. Its IUPAC name is ethyl 3-azido-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl 3-azido-2-hydroxypropanoate
PubChem CID10888191
Molecular FormulaC5H9N3O3
Molecular Weight159.14 g/mol
Exact Mass159.06
IUPAC Nameethyl 3-azido-2-hydroxypropanoate
SMILESCCOC(=O)C(O)CN=[N+]=[N-]
InChIInChI=1S/C5H9N3O3/c1-2-11-5(10)4(9)3-7-8-6/h4,9H,2-3H2,1H3
InChIKeyJWDVPDQIXXHLCY-UHFFFAOYSA-N
XLogP0.22
TPSA95.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 50.22
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 4-azido-3-hydroxybutanoate
CID 14685344
ethyl (3S)-4-azido-3-hydroxybutanoate
CID 10888398
ethyl 3-azido-2-(2,2,2-trifluoroethylamino)propanoate
CID 66427319
ethyl (2S)-2-azidopropanoate
CID 15266179
ethyl 2-hydroxybutanoate
CID 521365
ethyl (2R,3R)-3-azido-2-hydroxybutanoate
CID 10866810
methyl 3-azido-2-[(2-ethoxy-2-oxoethyl)amino]propanoate
CID 75040874
ethyl 2-[(2-azidoacetyl)amino]propanoate
CID 102169102
azidomethyl 2,3-dihydroxypropanoate
CID 126711905
ethyl 4-azido-3-cyclopentylbutanoate
CID 86759177
ethyl (3R)-4-azido-3-(prop-2-enoxycarbonylamino)butanoate
CID 54047072
ethyl (2R,3S)-3-azido-2-hydroxy-5-methylhexanoate
CID 10889285

Frequently Asked Questions

What is the IUPAC name of ethyl 3-azido-2-hydroxypropanoate?
The IUPAC name of ethyl 3-azido-2-hydroxypropanoate (CID 10888191) is ethyl 3-azido-2-hydroxypropanoate.
What is the SMILES notation for ethyl 3-azido-2-hydroxypropanoate?
The canonical SMILES for ethyl 3-azido-2-hydroxypropanoate is CCOC(=O)C(O)CN=[N+]=[N-].
What is the InChIKey of ethyl 3-azido-2-hydroxypropanoate?
The InChIKey is JWDVPDQIXXHLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O3/c1-2-11-5(10)4(9)3-7-8-6/h4,9H,2-3H2,1H3.
What are the key properties of ethyl 3-azido-2-hydroxypropanoate?
ethyl 3-azido-2-hydroxypropanoate has a molecular weight of 159.14 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-azido-2-hydroxypropanoate is sourced from PubChem (CID 10888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).