potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride

C8H12KNO3 — CID 173424167

IUPACpotassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
SMILESNC[C@H](O)c1ccc(O)c(O)c1.[H-].[K+]
InChIInChI=1S/C8H11NO3.K.H/c9-4-8(12)5-1-2-6(10)7(11)3-5;;/h1-3,8,10-12H,4,9H2;;/q;+1;-1/t8-;;/m0../s1
InChIKeyLRZFSHZHYWUQIE-JZGIKJSDSA-N
MW209.29 g/mol
LogP-2.79
Rot. Bonds2

About potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride

potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride (PubChem CID 173424167) has the molecular formula C8H12KNO3 and a molecular weight of 209.29 g/mol. Its IUPAC name is potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride.

Molecular Properties

Compound Namepotassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
PubChem CID173424167
Molecular FormulaC8H12KNO3
Molecular Weight209.29 g/mol
Exact Mass209.05
IUPAC Namepotassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride
SMILESNC[C@H](O)c1ccc(O)c(O)c1.[H-].[K+]
InChIInChI=1S/C8H11NO3.K.H/c9-4-8(12)5-1-2-6(10)7(11)3-5;;/h1-3,8,10-12H,4,9H2;;/q;+1;-1/t8-;;/m0../s1
InChIKeyLRZFSHZHYWUQIE-JZGIKJSDSA-N
XLogP-2.79
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 5-2.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;sulfuric acid
CID 67900579
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 11537018
4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 25127519
4-[(1S)-2-amino-1-hydroxyethyl]benzene-1,2-diol;(2R,3R)-2,3-dihydroxybutanedioate
CID 154731044
4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
CID 130033907
[(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]azanium
CID 6921839
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064
4-[(1R)-2-amino-1-hydroxyethyl]-2-(1-hydroxyethoxy)phenol
CID 70003904
4-[(1S)-1,3-diaminopropyl]benzene-1,2-diol
CID 130817355
4-[1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydrate
CID 18674898
4-(2-amino-1-methoxyethyl)benzene-1,2-diol
CID 54042907
4-[(1R)-1-hydroxy-2-(methylamino)ethyl]benzene-1,2-diol;hydroiodide
CID 71478439

Frequently Asked Questions

What is the IUPAC name of potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride?
The IUPAC name of potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride (CID 173424167) is potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride.
What is the SMILES notation for potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride?
The canonical SMILES for potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride is NC[C@H](O)c1ccc(O)c(O)c1.[H-].[K+].
What is the InChIKey of potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride?
The InChIKey is LRZFSHZHYWUQIE-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H11NO3.K.H/c9-4-8(12)5-1-2-6(10)7(11)3-5;;/h1-3,8,10-12H,4,9H2;;/q;+1;-1/t8-;;/m0../s1.
What are the key properties of potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride?
potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride has a molecular weight of 209.29 g/mol, XLogP of -2.79, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[(1R)-2-amino-1-hydroxyethyl]benzene-1,2-diol;hydride is sourced from PubChem (CID 173424167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).