[(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium

C3H8N3O3+ — CID 6334430

IUPAC[(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium
SMILESCC(N[N+](=O)O)C(N)=O
InChIInChI=1S/C3H7N3O3/c1-2(3(4)7)5-6(8)9/h2,5H,1H3,(H2-,4,7,8,9)/p+1
InChIKeyBVNGPXSNOSVJMD-UHFFFAOYSA-O
MW134.12 g/mol
LogP-1.47
Rot. Bonds3

About [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium

[(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium (PubChem CID 6334430) has the molecular formula C3H8N3O3+ and a molecular weight of 134.12 g/mol. Its IUPAC name is [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium.

Molecular Properties

Compound Name[(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium
PubChem CID6334430
Molecular FormulaC3H8N3O3+
Molecular Weight134.12 g/mol
Exact Mass134.06
IUPAC Name[(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium
SMILESCC(N[N+](=O)O)C(N)=O
InChIInChI=1S/C3H7N3O3/c1-2(3(4)7)5-6(8)9/h2,5H,1H3,(H2-,4,7,8,9)/p+1
InChIKeyBVNGPXSNOSVJMD-UHFFFAOYSA-O
XLogP-1.47
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.12
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', '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 [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium?
The IUPAC name of [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium (CID 6334430) is [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium.
What is the SMILES notation for [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium?
The canonical SMILES for [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium is CC(N[N+](=O)O)C(N)=O.
What is the InChIKey of [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium?
The InChIKey is BVNGPXSNOSVJMD-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H7N3O3/c1-2(3(4)7)5-6(8)9/h2,5H,1H3,(H2-,4,7,8,9)/p+1.
What are the key properties of [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium?
[(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium has a molecular weight of 134.12 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-amino-1-oxopropan-2-yl)amino]-hydroxy-oxoazanium is sourced from PubChem (CID 6334430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).