potassium;azane;2-carboxybenzoate

C8H8KNO4 — CID 174947787

IUPACpotassium;azane;2-carboxybenzoate
SMILESN.O=C([O-])c1ccccc1C(=O)O.[K+]
InChIInChI=1S/C8H6O4.K.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H3/q;+1;/p-1
InChIKeyPEJLMKPJJQPRMK-UHFFFAOYSA-M
MW221.25 g/mol
LogP-3.09
Rot. Bonds2

About potassium;azane;2-carboxybenzoate

potassium;azane;2-carboxybenzoate (PubChem CID 174947787) has the molecular formula C8H8KNO4 and a molecular weight of 221.25 g/mol. Its IUPAC name is potassium;azane;2-carboxybenzoate.

Molecular Properties

Compound Namepotassium;azane;2-carboxybenzoate
PubChem CID174947787
Molecular FormulaC8H8KNO4
Molecular Weight221.25 g/mol
Exact Mass221.01
IUPAC Namepotassium;azane;2-carboxybenzoate
SMILESN.O=C([O-])c1ccccc1C(=O)O.[K+]
InChIInChI=1S/C8H6O4.K.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H3/q;+1;/p-1
InChIKeyPEJLMKPJJQPRMK-UHFFFAOYSA-M
XLogP-3.09
TPSA112.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 5-3.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze potassium;azane;2-carboxybenzoate 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

potassium;2-carboxybenzoate;hydrofluoride
CID 174556372
2-carboxybenzoate;rubidium(1+)
CID 23665340
2-carboxybenzoate;thallium(1+)
CID 101403196
lithium 2-carboxybenzoate
CID 67386197
pentakis(lead(2+));phthalate
CID 173427098
disilver;phthalate
CID 21449237
trimagnesium;phthalate
CID 142758668
azane;phthalic acid;hydrochloride
CID 175440203
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618

Frequently Asked Questions

What is the IUPAC name of potassium;azane;2-carboxybenzoate?
The IUPAC name of potassium;azane;2-carboxybenzoate (CID 174947787) is potassium;azane;2-carboxybenzoate.
What is the SMILES notation for potassium;azane;2-carboxybenzoate?
The canonical SMILES for potassium;azane;2-carboxybenzoate is N.O=C([O-])c1ccccc1C(=O)O.[K+].
What is the InChIKey of potassium;azane;2-carboxybenzoate?
The InChIKey is PEJLMKPJJQPRMK-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6O4.K.H3N/c9-7(10)5-3-1-2-4-6(5)8(11)12;;/h1-4H,(H,9,10)(H,11,12);;1H3/q;+1;/p-1.
What are the key properties of potassium;azane;2-carboxybenzoate?
potassium;azane;2-carboxybenzoate has a molecular weight of 221.25 g/mol, XLogP of -3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;azane;2-carboxybenzoate is sourced from PubChem (CID 174947787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).