2-(N-azidoanilino)acetic acid

C8H8N4O2 — CID 54355465

IUPAC2-(N-azidoanilino)acetic acid
SMILES[N-]=[N+]=NN(CC(=O)O)c1ccccc1
InChIInChI=1S/C8H8N4O2/c9-10-11-12(6-8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyUIUNLAIBCNKSTC-UHFFFAOYSA-N
MW192.18 g/mol
LogP1.80
Rot. Bonds4

About 2-(N-azidoanilino)acetic acid

2-(N-azidoanilino)acetic acid (PubChem CID 54355465) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(N-azidoanilino)acetic acid.

Molecular Properties

Compound Name2-(N-azidoanilino)acetic acid
PubChem CID54355465
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name2-(N-azidoanilino)acetic acid
SMILES[N-]=[N+]=NN(CC(=O)O)c1ccccc1
InChIInChI=1S/C8H8N4O2/c9-10-11-12(6-8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChIKeyUIUNLAIBCNKSTC-UHFFFAOYSA-N
XLogP1.80
TPSA89.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', '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-(N-azidoanilino)acetic acid?
The IUPAC name of 2-(N-azidoanilino)acetic acid (CID 54355465) is 2-(N-azidoanilino)acetic acid.
What is the SMILES notation for 2-(N-azidoanilino)acetic acid?
The canonical SMILES for 2-(N-azidoanilino)acetic acid is [N-]=[N+]=NN(CC(=O)O)c1ccccc1.
What is the InChIKey of 2-(N-azidoanilino)acetic acid?
The InChIKey is UIUNLAIBCNKSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c9-10-11-12(6-8(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14).
What are the key properties of 2-(N-azidoanilino)acetic acid?
2-(N-azidoanilino)acetic acid has a molecular weight of 192.18 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-azidoanilino)acetic acid is sourced from PubChem (CID 54355465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).