3-azidopentanedioic acid

C5H7N3O4 — CID 150148119

IUPAC3-azidopentanedioic acid
SMILES[N-]=[N+]=NC(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H7N3O4/c6-8-7-3(1-4(9)10)2-5(11)12/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyFERNOMWUBQHLOJ-UHFFFAOYSA-N
MW173.13 g/mol
LogP0.61
Rot. Bonds5

About 3-azidopentanedioic acid

3-azidopentanedioic acid (PubChem CID 150148119) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 3-azidopentanedioic acid.

Molecular Properties

Compound Name3-azidopentanedioic acid
PubChem CID150148119
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name3-azidopentanedioic acid
SMILES[N-]=[N+]=NC(CC(=O)O)CC(=O)O
InChIInChI=1S/C5H7N3O4/c6-8-7-3(1-4(9)10)2-5(11)12/h3H,1-2H2,(H,9,10)(H,11,12)
InChIKeyFERNOMWUBQHLOJ-UHFFFAOYSA-N
XLogP0.61
TPSA123.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 50.61
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 3-azidopentanedioic acid?
The IUPAC name of 3-azidopentanedioic acid (CID 150148119) is 3-azidopentanedioic acid.
What is the SMILES notation for 3-azidopentanedioic acid?
The canonical SMILES for 3-azidopentanedioic acid is [N-]=[N+]=NC(CC(=O)O)CC(=O)O.
What is the InChIKey of 3-azidopentanedioic acid?
The InChIKey is FERNOMWUBQHLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c6-8-7-3(1-4(9)10)2-5(11)12/h3H,1-2H2,(H,9,10)(H,11,12).
What are the key properties of 3-azidopentanedioic acid?
3-azidopentanedioic acid has a molecular weight of 173.13 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azidopentanedioic acid is sourced from PubChem (CID 150148119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).