4-aminobenzoic acid;4-aminophthalic acid

C15H14N2O6 — CID 69300442

IUPAC4-aminobenzoic acid;4-aminophthalic acid
SMILESNc1ccc(C(=O)O)c(C(=O)O)c1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H7NO4.C7H7NO2/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;8-6-3-1-5(2-4-6)7(9)10/h1-3H,9H2,(H,10,11)(H,12,13);1-4H,8H2,(H,9,10)
InChIKeyCCMNEJCXDJOAGP-UHFFFAOYSA-N
MW318.29 g/mol
LogP1.63
Rot. Bonds3

About 4-aminobenzoic acid;4-aminophthalic acid

4-aminobenzoic acid;4-aminophthalic acid (PubChem CID 69300442) has the molecular formula C15H14N2O6 and a molecular weight of 318.29 g/mol. Its IUPAC name is 4-aminobenzoic acid;4-aminophthalic acid.

Molecular Properties

Compound Name4-aminobenzoic acid;4-aminophthalic acid
PubChem CID69300442
Molecular FormulaC15H14N2O6
Molecular Weight318.29 g/mol
Exact Mass318.09
IUPAC Name4-aminobenzoic acid;4-aminophthalic acid
SMILESNc1ccc(C(=O)O)c(C(=O)O)c1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H7NO4.C7H7NO2/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;8-6-3-1-5(2-4-6)7(9)10/h1-3H,9H2,(H,10,11)(H,12,13);1-4H,8H2,(H,9,10)
InChIKeyCCMNEJCXDJOAGP-UHFFFAOYSA-N
XLogP1.63
TPSA163.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.29
LogP ≤ 51.63
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzoic acid;hydrofluoride
CID 159690577
bis(4-aminobenzoic acid);ethene
CID 158776608
4-amino-2-benzoylbenzoic acid
CID 21494601
benzene-1,2,4-tricarboxylic acid;dihydrate
CID 70292833
4-[(4-aminophenyl)methyl]aniline;4-(3,4-dicarboxybenzoyl)phthalic acid
CID 138401006
4-amino-2-(5-amino-2-carboxyphenyl)benzoic acid
CID 22096985
4-aminobenzoic acid;cyclohexane-1,2,3,4,5,6-hexol
CID 67913871
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
bis(5-amino-2-(4-amino-2-carboxyphenyl)benzoic acid);hydrate
CID 174768494
4-amino-2-(2-methylprop-2-enoyl)benzoic acid
CID 18349365
5-aminobenzene-1,3-dicarboxylic acid;benzene-1,4-diamine
CID 142851105
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
CID 6395154

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid;4-aminophthalic acid?
The IUPAC name of 4-aminobenzoic acid;4-aminophthalic acid (CID 69300442) is 4-aminobenzoic acid;4-aminophthalic acid.
What is the SMILES notation for 4-aminobenzoic acid;4-aminophthalic acid?
The canonical SMILES for 4-aminobenzoic acid;4-aminophthalic acid is Nc1ccc(C(=O)O)c(C(=O)O)c1.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid;4-aminophthalic acid?
The InChIKey is CCMNEJCXDJOAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4.C7H7NO2/c9-4-1-2-5(7(10)11)6(3-4)8(12)13;8-6-3-1-5(2-4-6)7(9)10/h1-3H,9H2,(H,10,11)(H,12,13);1-4H,8H2,(H,9,10).
What are the key properties of 4-aminobenzoic acid;4-aminophthalic acid?
4-aminobenzoic acid;4-aminophthalic acid has a molecular weight of 318.29 g/mol, XLogP of 1.63, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid;4-aminophthalic acid is sourced from PubChem (CID 69300442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).