2-azido-N-(methylcarbamoyl)acetamide

C4H7N5O2 — CID 61375725

IUPAC2-azido-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C4H7N5O2/c1-6-4(11)8-3(10)2-7-9-5/h2H2,1H3,(H2,6,8,10,11)
InChIKeyGTRDGLOXJGUHOO-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.25
Rot. Bonds2

About 2-azido-N-(methylcarbamoyl)acetamide

2-azido-N-(methylcarbamoyl)acetamide (PubChem CID 61375725) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2-azido-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-azido-N-(methylcarbamoyl)acetamide
PubChem CID61375725
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name2-azido-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN=[N+]=[N-]
InChIInChI=1S/C4H7N5O2/c1-6-4(11)8-3(10)2-7-9-5/h2H2,1H3,(H2,6,8,10,11)
InChIKeyGTRDGLOXJGUHOO-UHFFFAOYSA-N
XLogP-0.25
TPSA106.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 2-azido-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-azido-N-(methylcarbamoyl)acetamide (CID 61375725) is 2-azido-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-azido-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-azido-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN=[N+]=[N-].
What is the InChIKey of 2-azido-N-(methylcarbamoyl)acetamide?
The InChIKey is GTRDGLOXJGUHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c1-6-4(11)8-3(10)2-7-9-5/h2H2,1H3,(H2,6,8,10,11).
What are the key properties of 2-azido-N-(methylcarbamoyl)acetamide?
2-azido-N-(methylcarbamoyl)acetamide has a molecular weight of 157.13 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 61375725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).