3-amino-4-methoxybenzoate

C8H8NO3- — CID 6931693

IUPAC3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)[O-])cc1N
InChIInChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)/p-1
InChIKeyFDGAEAYZQQCBRN-UHFFFAOYSA-M
MW166.16 g/mol
LogP-0.36
Rot. Bonds2

About 3-amino-4-methoxybenzoate

3-amino-4-methoxybenzoate (PubChem CID 6931693) has the molecular formula C8H8NO3- and a molecular weight of 166.16 g/mol. Its IUPAC name is 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name3-amino-4-methoxybenzoate
PubChem CID6931693
Molecular FormulaC8H8NO3-
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)[O-])cc1N
InChIInChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)/p-1
InChIKeyFDGAEAYZQQCBRN-UHFFFAOYSA-M
XLogP-0.36
TPSA75.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-4-methoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxybenzoate?
The IUPAC name of 3-amino-4-methoxybenzoate (CID 6931693) is 3-amino-4-methoxybenzoate.
What is the SMILES notation for 3-amino-4-methoxybenzoate?
The canonical SMILES for 3-amino-4-methoxybenzoate is COc1ccc(C(=O)[O-])cc1N.
What is the InChIKey of 3-amino-4-methoxybenzoate?
The InChIKey is FDGAEAYZQQCBRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4H,9H2,1H3,(H,10,11)/p-1.
What are the key properties of 3-amino-4-methoxybenzoate?
3-amino-4-methoxybenzoate has a molecular weight of 166.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxybenzoate is sourced from PubChem (CID 6931693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).