BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-amino-3-methoxybenzoic Acid

Graphical representations:

2-amino-3-methoxybenzoic acid image

Molecular Formula: C8 H9 N O3

Natural Isotopic Abundance Mass: 167.16196

Mono-Isotopic Molecular Masses:

  • C12N14: 167.0582431604
  • C13N14: 175.0850818628
  • C12N15: 168.0552780536
  • C13N15: 176.082116756

InCHi String:

canonical and isomeric SMILES: COC1=CC=CC(=C1N)C(=O)O

PUBCHEM iupac NAME: PUBCHEM iupac CAS NAME
2-amino-3-methoxybenzoic acid

PUBCHEM iupac TRADITIONAL NAME: PUBCHEM iupac OPENEYE NAME
2-amino-3-methoxy-benzoic acid

PUBCHEM iupac SYSTEMATIC NAME
2-azanyl-3-methoxy-benzoic acid

PubChem Substance (SID):   111677830   8125   14717668
PubChem Compound (CID):   255720
KEGG: Compound ID   C05831
CAS Registry IDs:   3177-80-8
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   Sigma-Aldrich 340103_ALDRICH   ChEBI CHEBI:27440   NMRShiftDB 20039243   ChemDB 6684662   DTP/NCI 81443   MMCD cq_03275   MDL MFCD00075178

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.