potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride

C14H19KO7S — CID 173139453

IUPACpotassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride
SMILESCC(C)C(C)(C)OC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C14H18O7S.K.H/c1-8(2)14(3,4)21-13(17)10-6-5-9(12(15)16)7-11(10)22(18,19)20;;/h5-8H,1-4H3,(H,15,16)(H,18,19,20);;/q;+1;-1
InChIKeySPZJWRYOEJZUHO-UHFFFAOYSA-N
MW370.46 g/mol
LogP-0.66
Rot. Bonds5

About potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride

potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride (PubChem CID 173139453) has the molecular formula C14H19KO7S and a molecular weight of 370.46 g/mol. Its IUPAC name is potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride.

Molecular Properties

Compound Namepotassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride
PubChem CID173139453
Molecular FormulaC14H19KO7S
Molecular Weight370.46 g/mol
Exact Mass370.05
IUPAC Namepotassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride
SMILESCC(C)C(C)(C)OC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C14H18O7S.K.H/c1-8(2)14(3,4)21-13(17)10-6-5-9(12(15)16)7-11(10)22(18,19)20;;/h5-8H,1-4H3,(H,15,16)(H,18,19,20);;/q;+1;-1
InChIKeySPZJWRYOEJZUHO-UHFFFAOYSA-N
XLogP-0.66
TPSA117.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;hydride;2-sulfoterephthalic acid
CID 173004511
sodium;hydride;4-octan-4-yloxycarbonyl-3-sulfobenzoic acid
CID 173139369
potassium;2,5-bis(3,3-dimethylbutoxycarbonyl)benzenesulfonic acid;hydride
CID 173139336
sodium;4-ethoxycarbonyl-2-sulfobenzoic acid;hydride
CID 174753124
lithium;2,5-bis(2-methylbutoxycarbonyl)benzenesulfonic acid;hydride
CID 173139451
methanamine;4-sulfobenzene-1,3-dicarboxylic acid
CID 173392445
2,5-bis(2,2-dimethylpropoxycarbonyl)benzenesulfonic acid
CID 87698380
4-(12,12-dibutylhexadecoxycarbonyl)-3-sulfobenzoic acid
CID 158719452
2,5-bis(2-methylbutoxycarbonyl)benzenesulfonic acid
CID 87698623
potassium;hydride;3-hydroxy-4-sulfobenzoic acid
CID 173217056
sodium;2,5-bis(propoxycarbonyl)benzenesulfonic acid;hydride
CID 173139332
cesium;4-(1-cyclohexylcyclohexyl)oxycarbonyl-3-sulfobenzoic acid;hydride
CID 173139330

Frequently Asked Questions

What is the IUPAC name of potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride?
The IUPAC name of potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride (CID 173139453) is potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride.
What is the SMILES notation for potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride?
The canonical SMILES for potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride is CC(C)C(C)(C)OC(=O)c1ccc(C(=O)O)cc1S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride?
The InChIKey is SPZJWRYOEJZUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O7S.K.H/c1-8(2)14(3,4)21-13(17)10-6-5-9(12(15)16)7-11(10)22(18,19)20;;/h5-8H,1-4H3,(H,15,16)(H,18,19,20);;/q;+1;-1.
What are the key properties of potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride?
potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride has a molecular weight of 370.46 g/mol, XLogP of -0.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(2,3-dimethylbutan-2-yloxycarbonyl)-3-sulfobenzoic acid;hydride is sourced from PubChem (CID 173139453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).