2-amino-3,5-bis(4-aminophenyl)benzoic acid

C19H17N3O2 — CID 157346350

IUPAC2-amino-3,5-bis(4-aminophenyl)benzoic acid
SMILESNc1ccc(-c2cc(C(=O)O)c(N)c(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C19H17N3O2/c20-14-5-1-11(2-6-14)13-9-16(12-3-7-15(21)8-4-12)18(22)17(10-13)19(23)24/h1-10H,20-22H2,(H,23,24)
InChIKeyBHACAHBXBPBNEK-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.47
Rot. Bonds3

About 2-amino-3,5-bis(4-aminophenyl)benzoic acid

2-amino-3,5-bis(4-aminophenyl)benzoic acid (PubChem CID 157346350) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-amino-3,5-bis(4-aminophenyl)benzoic acid.

Molecular Properties

Compound Name2-amino-3,5-bis(4-aminophenyl)benzoic acid
PubChem CID157346350
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name2-amino-3,5-bis(4-aminophenyl)benzoic acid
SMILESNc1ccc(-c2cc(C(=O)O)c(N)c(-c3ccc(N)cc3)c2)cc1
InChIInChI=1S/C19H17N3O2/c20-14-5-1-11(2-6-14)13-9-16(12-3-7-15(21)8-4-12)18(22)17(10-13)19(23)24/h1-10H,20-22H2,(H,23,24)
InChIKeyBHACAHBXBPBNEK-UHFFFAOYSA-N
XLogP3.47
TPSA115.36 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[2-amino-3,5-bis(4-methylphenyl)phenyl]benzoic acid
CID 144851372
4-(4-aminophenyl)furan-3-carboxylic acid
CID 117223669
3-(4-aminophenyl)phthalic acid
CID 150193527
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
1-[5-amino-2-(4-aminophenyl)phenyl]ethanone
CID 22756817
bis(2-amino-5-(4-amino-3-carboxyphenyl)benzoic acid);hydrate
CID 174768508
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
4-[3,5-bis(4-aminophenyl)phenyl]aniline
CID 12058813
4-[3,4-bis(4-aminophenyl)phenyl]aniline
CID 101079504
2-[5-amino-2-(4-aminophenyl)phenoxy]benzoic acid
CID 174895889
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
5-amino-2-(4-aminophenyl)benzamide
CID 68787804

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,5-bis(4-aminophenyl)benzoic acid?
The IUPAC name of 2-amino-3,5-bis(4-aminophenyl)benzoic acid (CID 157346350) is 2-amino-3,5-bis(4-aminophenyl)benzoic acid.
What is the SMILES notation for 2-amino-3,5-bis(4-aminophenyl)benzoic acid?
The canonical SMILES for 2-amino-3,5-bis(4-aminophenyl)benzoic acid is Nc1ccc(-c2cc(C(=O)O)c(N)c(-c3ccc(N)cc3)c2)cc1.
What is the InChIKey of 2-amino-3,5-bis(4-aminophenyl)benzoic acid?
The InChIKey is BHACAHBXBPBNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c20-14-5-1-11(2-6-14)13-9-16(12-3-7-15(21)8-4-12)18(22)17(10-13)19(23)24/h1-10H,20-22H2,(H,23,24).
What are the key properties of 2-amino-3,5-bis(4-aminophenyl)benzoic acid?
2-amino-3,5-bis(4-aminophenyl)benzoic acid has a molecular weight of 319.36 g/mol, XLogP of 3.47, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,5-bis(4-aminophenyl)benzoic acid is sourced from PubChem (CID 157346350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).