2-aminobenzoic acid

C7H7NO2 — CID 227

IUPAC2-aminobenzoic acid
SMILESNc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyRWZYAGGXGHYGMB-UHFFFAOYSA-N
MW137.14 g/mol
LogP0.97
Rot. Bonds1

About 2-aminobenzoic acid

2-aminobenzoic acid (PubChem CID 227) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-aminobenzoic acid.

Molecular Properties

Compound Name2-aminobenzoic acid
PubChem CID227
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-aminobenzoic acid
SMILESNc1ccccc1C(=O)O
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)
InChIKeyRWZYAGGXGHYGMB-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

4-Aminobenzoic Acid
CID 978
Methyl Anthranilate
CID 8635
N-Phenylanthranilic Acid
CID 4386
Linalyl anthranilate
CID 23535
Cinnamyl Anthranilate
CID 5284369
Ethyl 2-aminobenzoate
CID 6877
Butyl anthranilate
CID 24433
Phenethyl anthranilate
CID 8615
Enfenamic Acid
CID 31635
N-acetylanthranilic acid
CID 6971
3-Aminobenzoic Acid
CID 7419
Allyl anthranilate
CID 24116

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoic acid?
The IUPAC name of 2-aminobenzoic acid (CID 227) is 2-aminobenzoic acid.
What is the SMILES notation for 2-aminobenzoic acid?
The canonical SMILES for 2-aminobenzoic acid is Nc1ccccc1C(=O)O.
What is the InChIKey of 2-aminobenzoic acid?
The InChIKey is RWZYAGGXGHYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10).
What are the key properties of 2-aminobenzoic acid?
2-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 2-aminobenzoic acid is sourced from PubChem (CID 227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).