methyl 2-[(2-azidoacetyl)amino]prop-2-enoate

C6H8N4O3 — CID 134858501

IUPACmethyl 2-[(2-azidoacetyl)amino]prop-2-enoate
SMILESC=C(NC(=O)CN=[N+]=[N-])C(=O)OC
InChIInChI=1S/C6H8N4O3/c1-4(6(12)13-2)9-5(11)3-8-10-7/h1,3H2,2H3,(H,9,11)
InChIKeyCLUXQZVQCXDQKQ-UHFFFAOYSA-N
MW184.15 g/mol
LogP0.10
Rot. Bonds4

About methyl 2-[(2-azidoacetyl)amino]prop-2-enoate

methyl 2-[(2-azidoacetyl)amino]prop-2-enoate (PubChem CID 134858501) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is methyl 2-[(2-azidoacetyl)amino]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[(2-azidoacetyl)amino]prop-2-enoate
PubChem CID134858501
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Namemethyl 2-[(2-azidoacetyl)amino]prop-2-enoate
SMILESC=C(NC(=O)CN=[N+]=[N-])C(=O)OC
InChIInChI=1S/C6H8N4O3/c1-4(6(12)13-2)9-5(11)3-8-10-7/h1,3H2,2H3,(H,9,11)
InChIKeyCLUXQZVQCXDQKQ-UHFFFAOYSA-N
XLogP0.10
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 50.10
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': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-azidoacetyl)amino]prop-2-enoate?
The IUPAC name of methyl 2-[(2-azidoacetyl)amino]prop-2-enoate (CID 134858501) is methyl 2-[(2-azidoacetyl)amino]prop-2-enoate.
What is the SMILES notation for methyl 2-[(2-azidoacetyl)amino]prop-2-enoate?
The canonical SMILES for methyl 2-[(2-azidoacetyl)amino]prop-2-enoate is C=C(NC(=O)CN=[N+]=[N-])C(=O)OC.
What is the InChIKey of methyl 2-[(2-azidoacetyl)amino]prop-2-enoate?
The InChIKey is CLUXQZVQCXDQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O3/c1-4(6(12)13-2)9-5(11)3-8-10-7/h1,3H2,2H3,(H,9,11).
What are the key properties of methyl 2-[(2-azidoacetyl)amino]prop-2-enoate?
methyl 2-[(2-azidoacetyl)amino]prop-2-enoate has a molecular weight of 184.15 g/mol, XLogP of 0.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-azidoacetyl)amino]prop-2-enoate is sourced from PubChem (CID 134858501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).