2-azaniumyl-5-hydrazinyl-5-oxopentanoate

C5H11N3O3 — CID 71463446

IUPAC2-azaniumyl-5-hydrazinyl-5-oxopentanoate
SMILESNNC(=O)CCC([NH3+])C(=O)[O-]
InChIInChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)
InChIKeyMOFBPUBBBREDCE-UHFFFAOYSA-N
MW161.16 g/mol
LogP-3.88
Rot. Bonds4

About 2-azaniumyl-5-hydrazinyl-5-oxopentanoate

2-azaniumyl-5-hydrazinyl-5-oxopentanoate (PubChem CID 71463446) has the molecular formula C5H11N3O3 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-azaniumyl-5-hydrazinyl-5-oxopentanoate.

Molecular Properties

Compound Name2-azaniumyl-5-hydrazinyl-5-oxopentanoate
PubChem CID71463446
Molecular FormulaC5H11N3O3
Molecular Weight161.16 g/mol
Exact Mass161.08
IUPAC Name2-azaniumyl-5-hydrazinyl-5-oxopentanoate
SMILESNNC(=O)CCC([NH3+])C(=O)[O-]
InChIInChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11)
InChIKeyMOFBPUBBBREDCE-UHFFFAOYSA-N
XLogP-3.88
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-3.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-5-hydrazinyl-5-oxopentanoate?
The IUPAC name of 2-azaniumyl-5-hydrazinyl-5-oxopentanoate (CID 71463446) is 2-azaniumyl-5-hydrazinyl-5-oxopentanoate.
What is the SMILES notation for 2-azaniumyl-5-hydrazinyl-5-oxopentanoate?
The canonical SMILES for 2-azaniumyl-5-hydrazinyl-5-oxopentanoate is NNC(=O)CCC([NH3+])C(=O)[O-].
What is the InChIKey of 2-azaniumyl-5-hydrazinyl-5-oxopentanoate?
The InChIKey is MOFBPUBBBREDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O3/c6-3(5(10)11)1-2-4(9)8-7/h3H,1-2,6-7H2,(H,8,9)(H,10,11).
What are the key properties of 2-azaniumyl-5-hydrazinyl-5-oxopentanoate?
2-azaniumyl-5-hydrazinyl-5-oxopentanoate has a molecular weight of 161.16 g/mol, XLogP of -3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-5-hydrazinyl-5-oxopentanoate is sourced from PubChem (CID 71463446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).