ethyl (2S)-2-azidopropanoate

C5H9N3O2 — CID 15266179

IUPACethyl (2S)-2-azidopropanoate
SMILESCCOC(=O)[C@H](C)N=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyLSSJUKDVBOYWHG-BYPYZUCNSA-N
MW143.15 g/mol
LogP1.25
Rot. Bonds3

About ethyl (2S)-2-azidopropanoate

ethyl (2S)-2-azidopropanoate (PubChem CID 15266179) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is ethyl (2S)-2-azidopropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-azidopropanoate
PubChem CID15266179
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Nameethyl (2S)-2-azidopropanoate
SMILESCCOC(=O)[C@H](C)N=[N+]=[N-]
InChIInChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h4H,3H2,1-2H3/t4-/m0/s1
InChIKeyLSSJUKDVBOYWHG-BYPYZUCNSA-N
XLogP1.25
TPSA75.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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CID 10866810
ethyl (2R,3S)-3-azido-2-hydroxy-5-methylhexanoate
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2-azido-N-propylpropanamide
CID 61373269
2-azidopropanoic acid
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ethyl 3-acetyloxy-2-azidohexanoate
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2-azido-4-methylpentan-3-one
CID 150180887
ethyl 3-azido-2-hydroxypropanoate
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methyl (2S,3S)-2-azido-3-methylpentanoate
CID 57194503
methyl (2S)-2-azido-3-methylpentanoate
CID 102453240
ethyl (2S)-2-[(2S)-1-ethoxy-1-oxopropan-2-yl]oxypropanoate
CID 11218228
2-azido-6-(5-azido-4-oxohexoxy)hexan-3-one
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ethyl 2-[(2-azidoacetyl)amino]propanoate
CID 102169102

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-azidopropanoate?
The IUPAC name of ethyl (2S)-2-azidopropanoate (CID 15266179) is ethyl (2S)-2-azidopropanoate.
What is the SMILES notation for ethyl (2S)-2-azidopropanoate?
The canonical SMILES for ethyl (2S)-2-azidopropanoate is CCOC(=O)[C@H](C)N=[N+]=[N-].
What is the InChIKey of ethyl (2S)-2-azidopropanoate?
The InChIKey is LSSJUKDVBOYWHG-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-3-10-5(9)4(2)7-8-6/h4H,3H2,1-2H3/t4-/m0/s1.
What are the key properties of ethyl (2S)-2-azidopropanoate?
ethyl (2S)-2-azidopropanoate has a molecular weight of 143.15 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-azidopropanoate is sourced from PubChem (CID 15266179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).