potassium;carbanide;2,2-dinitroacetic acid

C3H5KN2O6 — CID 88776833

IUPACpotassium;carbanide;2,2-dinitroacetic acid
SMILESO=C(O)C([N+](=O)[O-])[N+](=O)[O-].[CH3-].[K+]
InChIInChI=1S/C2H2N2O6.CH3.K/c5-2(6)1(3(7)8)4(9)10;;/h1H,(H,5,6);1H3;/q;-1;+1
InChIKeyVDJVHOSIWQCJGS-UHFFFAOYSA-N
MW204.18 g/mol
LogP-3.60
Rot. Bonds3

About potassium;carbanide;2,2-dinitroacetic acid

potassium;carbanide;2,2-dinitroacetic acid (PubChem CID 88776833) has the molecular formula C3H5KN2O6 and a molecular weight of 204.18 g/mol. Its IUPAC name is potassium;carbanide;2,2-dinitroacetic acid.

Molecular Properties

Compound Namepotassium;carbanide;2,2-dinitroacetic acid
PubChem CID88776833
Molecular FormulaC3H5KN2O6
Molecular Weight204.18 g/mol
Exact Mass203.98
IUPAC Namepotassium;carbanide;2,2-dinitroacetic acid
SMILESO=C(O)C([N+](=O)[O-])[N+](=O)[O-].[CH3-].[K+]
InChIInChI=1S/C2H2N2O6.CH3.K/c5-2(6)1(3(7)8)4(9)10;;/h1H,(H,5,6);1H3;/q;-1;+1
InChIKeyVDJVHOSIWQCJGS-UHFFFAOYSA-N
XLogP-3.60
TPSA123.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-3.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

potassium 2,2-dinitroacetate
CID 23331485
2-hydroxy-2-nitroacetic acid
CID 57258933
(2S)-2-amino-3-hydroxypropanoic acid;nitric acid
CID 172852587
3,3-difluoro-2-nitropropanoic acid
CID 87346608
2-amino-3-hydroxypropanoic acid;azane;nitric acid
CID 173259395
bismuth;2-amino-3-sulfanylpropanoic acid;nitrate
CID 21146932
2,3-dinitrobutanedioic acid;2-hydroxyacetic acid
CID 161141849
2-hydroxy-3-nitrobutanoic acid
CID 55299089
2-methylbutanedioic acid;nitric acid;yttrium
CID 58165002
azanium;potassium;hydrogen carbonate;nitrate
CID 161270012
2-amino-4-methyl-4-nitropentanoic acid
CID 11469376
(2S)-2-amino-4-methyl-4-nitropentanoic acid
CID 154154915

Frequently Asked Questions

What is the IUPAC name of potassium;carbanide;2,2-dinitroacetic acid?
The IUPAC name of potassium;carbanide;2,2-dinitroacetic acid (CID 88776833) is potassium;carbanide;2,2-dinitroacetic acid.
What is the SMILES notation for potassium;carbanide;2,2-dinitroacetic acid?
The canonical SMILES for potassium;carbanide;2,2-dinitroacetic acid is O=C(O)C([N+](=O)[O-])[N+](=O)[O-].[CH3-].[K+].
What is the InChIKey of potassium;carbanide;2,2-dinitroacetic acid?
The InChIKey is VDJVHOSIWQCJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N2O6.CH3.K/c5-2(6)1(3(7)8)4(9)10;;/h1H,(H,5,6);1H3;/q;-1;+1.
What are the key properties of potassium;carbanide;2,2-dinitroacetic acid?
potassium;carbanide;2,2-dinitroacetic acid has a molecular weight of 204.18 g/mol, XLogP of -3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;carbanide;2,2-dinitroacetic acid is sourced from PubChem (CID 88776833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).