ethyl 2-[(2-azidoacetyl)amino]propanoate

C7H12N4O3 — CID 102169102

IUPACethyl 2-[(2-azidoacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C7H12N4O3/c1-3-14-7(13)5(2)10-6(12)4-9-11-8/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyOOKVTGRXNZVTEH-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.36
Rot. Bonds5

About ethyl 2-[(2-azidoacetyl)amino]propanoate

ethyl 2-[(2-azidoacetyl)amino]propanoate (PubChem CID 102169102) has the molecular formula C7H12N4O3 and a molecular weight of 200.20 g/mol. Its IUPAC name is ethyl 2-[(2-azidoacetyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(2-azidoacetyl)amino]propanoate
PubChem CID102169102
Molecular FormulaC7H12N4O3
Molecular Weight200.20 g/mol
Exact Mass200.09
IUPAC Nameethyl 2-[(2-azidoacetyl)amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C7H12N4O3/c1-3-14-7(13)5(2)10-6(12)4-9-11-8/h5H,3-4H2,1-2H3,(H,10,12)
InChIKeyOOKVTGRXNZVTEH-UHFFFAOYSA-N
XLogP0.36
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.36
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-azidoacetyl)amino]propanoate?
The IUPAC name of ethyl 2-[(2-azidoacetyl)amino]propanoate (CID 102169102) is ethyl 2-[(2-azidoacetyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(2-azidoacetyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(2-azidoacetyl)amino]propanoate is CCOC(=O)C(C)NC(=O)CN=[N+]=[N-].
What is the InChIKey of ethyl 2-[(2-azidoacetyl)amino]propanoate?
The InChIKey is OOKVTGRXNZVTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3/c1-3-14-7(13)5(2)10-6(12)4-9-11-8/h5H,3-4H2,1-2H3,(H,10,12).
What are the key properties of ethyl 2-[(2-azidoacetyl)amino]propanoate?
ethyl 2-[(2-azidoacetyl)amino]propanoate has a molecular weight of 200.20 g/mol, XLogP of 0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-azidoacetyl)amino]propanoate is sourced from PubChem (CID 102169102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).