[1-(hydroxyamino)-1-oxopropan-2-yl]azanium

C3H9N2O2+ — CID 78443389

IUPAC[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
SMILESCC([NH3+])C(=O)NO
InChIInChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)/p+1
InChIKeyBAAQJFBTHFOHLY-UHFFFAOYSA-O
MW105.12 g/mol
LogP-1.88
Rot. Bonds1

About [1-(hydroxyamino)-1-oxopropan-2-yl]azanium

[1-(hydroxyamino)-1-oxopropan-2-yl]azanium (PubChem CID 78443389) has the molecular formula C3H9N2O2+ and a molecular weight of 105.12 g/mol. Its IUPAC name is [1-(hydroxyamino)-1-oxopropan-2-yl]azanium.

Molecular Properties

Compound Name[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
PubChem CID78443389
Molecular FormulaC3H9N2O2+
Molecular Weight105.12 g/mol
Exact Mass105.07
IUPAC Name[1-(hydroxyamino)-1-oxopropan-2-yl]azanium
SMILESCC([NH3+])C(=O)NO
InChIInChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)/p+1
InChIKeyBAAQJFBTHFOHLY-UHFFFAOYSA-O
XLogP-1.88
TPSA76.97 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.12
LogP ≤ 5-1.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-2-sulfanylpropanamide
CID 20542834
[(2S)-1-[4-[[(2S)-2-azaniumylpropanoyl]amino]butylamino]-1-oxopropan-2-yl]azanium dichloride
CID 10494630
[(2R)-1-(2-fluoroethylamino)-1-oxopropan-2-yl]azanium
CID 140645046
[(2S)-3-oxo(313C)butan-2-yl](15N)azanium
CID 167635935
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-azaniumylpropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoate
CID 7017965
(1-methoxy-1-oxopropan-2-yl)azanium chloride
CID 10931506
2,2-dichloro-N-hydroxyacetamide
CID 59715454
N-hydroxy-2-(iodoamino)-4-methylpentanamide
CID 88849243
(2R)-2-amino-N-hydroxy-4-methylpentanamide
CID 6951121
acetylene;2-amino-N,3-dihydroxybutanamide
CID 174483639
2-[acetyl(methyl)amino]-N-hydroxypropanamide
CID 20680996
(2R)-2-[[(2R)-2-azaniumylpropanoyl]amino]-4-methylpentanoate
CID 6992389

Frequently Asked Questions

What is the IUPAC name of [1-(hydroxyamino)-1-oxopropan-2-yl]azanium?
The IUPAC name of [1-(hydroxyamino)-1-oxopropan-2-yl]azanium (CID 78443389) is [1-(hydroxyamino)-1-oxopropan-2-yl]azanium.
What is the SMILES notation for [1-(hydroxyamino)-1-oxopropan-2-yl]azanium?
The canonical SMILES for [1-(hydroxyamino)-1-oxopropan-2-yl]azanium is CC([NH3+])C(=O)NO.
What is the InChIKey of [1-(hydroxyamino)-1-oxopropan-2-yl]azanium?
The InChIKey is BAAQJFBTHFOHLY-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H8N2O2/c1-2(4)3(6)5-7/h2,7H,4H2,1H3,(H,5,6)/p+1.
What are the key properties of [1-(hydroxyamino)-1-oxopropan-2-yl]azanium?
[1-(hydroxyamino)-1-oxopropan-2-yl]azanium has a molecular weight of 105.12 g/mol, XLogP of -1.88, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(hydroxyamino)-1-oxopropan-2-yl]azanium is sourced from PubChem (CID 78443389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).