4-aminobenzoic acid

C7H7NO2 — CID 978

IUPAC4-aminobenzoic acid
SMILESNc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyALYNCZNDIQEVRV-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.97
Rot. Bonds1

About 4-aminobenzoic acid

4-aminobenzoic acid (PubChem CID 978) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 4-aminobenzoic acid.

Molecular Properties

Compound Name4-aminobenzoic acid
PubChem CID978
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name4-aminobenzoic acid
SMILESNc1ccc(C(=O)O)cc1
InChIInChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyALYNCZNDIQEVRV-UHFFFAOYSA-N
XLogP0.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Anthranilic Acid
CID 227
Benzocaine
CID 2337
Butyl 4-aminobenzoate
CID 2482
4-Nitrobenzoic Acid
CID 6108
Risocaine
CID 7174
Isobutamben
CID 7176
3-Aminobenzoic Acid
CID 7419
p-Acetamidobenzoic acid
CID 19266
3,5-Diaminobenzoic acid
CID 12062
Aminobenzoate Potassium
CID 23663628
Sodium 4-aminobenzoate
CID 517441
4-(Dimethylamino)benzoic acid
CID 12092

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzoic acid?
The IUPAC name of 4-aminobenzoic acid (CID 978) is 4-aminobenzoic acid.
What is the SMILES notation for 4-aminobenzoic acid?
The canonical SMILES for 4-aminobenzoic acid is Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-aminobenzoic acid?
The InChIKey is ALYNCZNDIQEVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10).
What are the key properties of 4-aminobenzoic acid?
4-aminobenzoic acid has a molecular weight of 137.14 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzoic acid is sourced from PubChem (CID 978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).