tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate

C16H7K4NO8 — CID 160940580

IUPACtetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate
SMILESO=C([O-])c1cccc(Nc2cccc(C(=O)[O-])c2C(=O)[O-])c1C(=O)[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C16H11NO8.4K/c18-13(19)7-3-1-5-9(11(7)15(22)23)17-10-6-2-4-8(14(20)21)12(10)16(24)25;;;;/h1-6,17H,(H,18,19)(H,20,21)(H,22,23)(H,24,25);;;;/q;4*+1/p-4
InChIKeyNDPBPPZKEQWVNB-UHFFFAOYSA-J
MW497.62 g/mol
LogP-15.10
Rot. Bonds6

About tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate

tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate (PubChem CID 160940580) has the molecular formula C16H7K4NO8 and a molecular weight of 497.62 g/mol. Its IUPAC name is tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate.

Molecular Properties

Compound Nametetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate
PubChem CID160940580
Molecular FormulaC16H7K4NO8
Molecular Weight497.62 g/mol
Exact Mass496.87
IUPAC Nametetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate
SMILESO=C([O-])c1cccc(Nc2cccc(C(=O)[O-])c2C(=O)[O-])c1C(=O)[O-].[K+].[K+].[K+].[K+]
InChIInChI=1S/C16H11NO8.4K/c18-13(19)7-3-1-5-9(11(7)15(22)23)17-10-6-2-4-8(14(20)21)12(10)16(24)25;;;;/h1-6,17H,(H,18,19)(H,20,21)(H,22,23)(H,24,25);;;;/q;4*+1/p-4
InChIKeyNDPBPPZKEQWVNB-UHFFFAOYSA-J
XLogP-15.10
TPSA172.55 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.62
LogP ≤ 5-15.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

trimagnesium bis(benzene-1,2,3-tricarboxylate)
CID 67068179
sodium 2,3-dicarboxybenzoate
CID 166682302
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
3-amino-2-carboxybenzoate
CID 58908240
tetraazanium;benzene-1,2,3,4-tetracarboxylate
CID 69282657
2-(2,6-difluoroanilino)benzoate
CID 163199732
benzene-1,2,3-tricarboxylate;tris(tetraethylazanium)
CID 171478300
copper bis(2-(3-chloro-2-methylanilino)benzoate)
CID 132532819
strontium;barium(2+);phthalate;zirconium(4+)
CID 174634619
potassium;2-carboxybenzoate;hydrofluoride
CID 174556372
potassium;azane;2-carboxybenzoate
CID 174947787
triazanium;3-sulfonatophthalate
CID 172692318

Frequently Asked Questions

What is the IUPAC name of tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate?
The IUPAC name of tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate (CID 160940580) is tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate.
What is the SMILES notation for tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate?
The canonical SMILES for tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate is O=C([O-])c1cccc(Nc2cccc(C(=O)[O-])c2C(=O)[O-])c1C(=O)[O-].[K+].[K+].[K+].[K+].
What is the InChIKey of tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate?
The InChIKey is NDPBPPZKEQWVNB-UHFFFAOYSA-J. The full InChI is InChI=1S/C16H11NO8.4K/c18-13(19)7-3-1-5-9(11(7)15(22)23)17-10-6-2-4-8(14(20)21)12(10)16(24)25;;;;/h1-6,17H,(H,18,19)(H,20,21)(H,22,23)(H,24,25);;;;/q;4*+1/p-4.
What are the key properties of tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate?
tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate has a molecular weight of 497.62 g/mol, XLogP of -15.10, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tetrapotassium;3-(2,3-dicarboxylatoanilino)phthalate is sourced from PubChem (CID 160940580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).