2-aminobenzoate

C7H6NO2- — CID 5459842

IUPAC2-aminobenzoate
SMILESNc1ccccc1C(=O)[O-]
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
InChIKeyRWZYAGGXGHYGMB-UHFFFAOYSA-M
MW136.13 g/mol
LogP-0.37
Rot. Bonds1

About 2-aminobenzoate

2-aminobenzoate (PubChem CID 5459842) has the molecular formula C7H6NO2- and a molecular weight of 136.13 g/mol. Its IUPAC name is 2-aminobenzoate.

Molecular Properties

Compound Name2-aminobenzoate
PubChem CID5459842
Molecular FormulaC7H6NO2-
Molecular Weight136.13 g/mol
Exact Mass136.04
IUPAC Name2-aminobenzoate
SMILESNc1ccccc1C(=O)[O-]
InChIInChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1
InChIKeyRWZYAGGXGHYGMB-UHFFFAOYSA-M
XLogP-0.37
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-aminobenzoate;ethylazanium
CID 160595326
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bis(2-aminobenzoate);dibutyltin(2+)
CID 22925318
disilver;phthalate
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pentakis(lead(2+));phthalate
CID 173427098
trimagnesium;phthalate
CID 142758668
lead(2+) dihydride;phthalate
CID 155293254
nickel(2+);phthalate
CID 15798393
dibismuth;phthalate;urea
CID 161346860
3-amino-2-carboxybenzoate
CID 58908240
disodium;hydron;phthalate
CID 23089010
bis(lead(2+));phthalate;dihydroxide
CID 102446618

Frequently Asked Questions

What is the IUPAC name of 2-aminobenzoate?
The IUPAC name of 2-aminobenzoate (CID 5459842) is 2-aminobenzoate.
What is the SMILES notation for 2-aminobenzoate?
The canonical SMILES for 2-aminobenzoate is Nc1ccccc1C(=O)[O-].
What is the InChIKey of 2-aminobenzoate?
The InChIKey is RWZYAGGXGHYGMB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10)/p-1.
What are the key properties of 2-aminobenzoate?
2-aminobenzoate has a molecular weight of 136.13 g/mol, XLogP of -0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminobenzoate is sourced from PubChem (CID 5459842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).