2-amino-6-methoxybenzoic acid

C8H9NO3 — CID 2735357

IUPAC2-amino-6-methoxybenzoic acid
SMILESCOc1cccc(N)c1C(=O)O
InChIInChI=1S/C8H9NO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKeyDYZDIWNRWSNVPT-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.98
Rot. Bonds2

About 2-amino-6-methoxybenzoic acid

2-amino-6-methoxybenzoic acid (PubChem CID 2735357) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is 2-amino-6-methoxybenzoic acid.

Molecular Properties

Compound Name2-amino-6-methoxybenzoic acid
PubChem CID2735357
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name2-amino-6-methoxybenzoic acid
SMILESCOc1cccc(N)c1C(=O)O
InChIInChI=1S/C8H9NO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H,10,11)
InChIKeyDYZDIWNRWSNVPT-UHFFFAOYSA-N
XLogP0.98
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenyl 4-aminosalicylate
CID 8609
Anthranilic acid, N-(3-methoxyphenyl)-
CID 119702
Methyl p-aminosalicylate
CID 77787
Para-tolyl 4-aminosalicylate
CID 91815
4-Amino-o-anisic acid
CID 75599
Benzoic acid, 4-amino-2-hydroxy-, ethyl ester
CID 201474
4-Nitro-o-anisic acid
CID 75776
2-Amino-4-methoxybenzoic acid
CID 351010
2-Trifluoromethyl-5-methoxy-4H-3,1-benzoxazin-4-one
CID 22124919
1-Methylethyl 4-amino-2-hydroxybenzoate
CID 201455
Methyl 4-amino-o-anisate
CID 168705
5-Methoxyanthranilic acid
CID 277930

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methoxybenzoic acid?
The IUPAC name of 2-amino-6-methoxybenzoic acid (CID 2735357) is 2-amino-6-methoxybenzoic acid.
What is the SMILES notation for 2-amino-6-methoxybenzoic acid?
The canonical SMILES for 2-amino-6-methoxybenzoic acid is COc1cccc(N)c1C(=O)O.
What is the InChIKey of 2-amino-6-methoxybenzoic acid?
The InChIKey is DYZDIWNRWSNVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,9H2,1H3,(H,10,11).
What are the key properties of 2-amino-6-methoxybenzoic acid?
2-amino-6-methoxybenzoic acid has a molecular weight of 167.16 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methoxybenzoic acid is sourced from PubChem (CID 2735357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).