2-Amino-3-hydroxy-4-methylbenzoic acid
Basic information
- CAS
552-14-7- Standard SMILES
Cc1ccc(C(=O)O)c(N)c1O- InChIKey
OYZONAXDAWHDMN-UHFFFAOYSA-N- Molecular formula
- C8H9NO3
- Average molar mass
- 167.16 g/mol
- Monoisotopic mass
- 167.05824315
Overview
3-hydroxy-4-methylanthranilic acid is an aminobenzoic acid that is anthranilic acid substituted by a hydroxy group at position 3 and a methyl group at position 4. It has a role as a bacterial metabolite. It is an aminobenzoic acid and a monohydroxybenzoic acid. It is functionally related to an anthranilic acid. It is a conjugate acid of a 3-hydroxy-4-methylanthranilate.
Names & identifiers
- Preferred name
- 2-Amino-3-hydroxy-4-methylbenzoic acid
- IUPAC
- 2-amino-3-hydroxy-4-methylbenzoic acid
- English name
- 4-methyl-3-hydroxyanthranilic acid
- Molecular formula
- C8H9NO3
- Molecular weight
- 167.16
Names & synonyms
2-amino-3-hydroxy-4-methylbenzoic acid552-14-74-Methyl-3-hydroxyanthranilic acid3-Hydroxy-4-methylanthranilic acid3,4-Cresotic acid, 2-amino-Benzoic acid, 2-amino-3-hydroxy-4-methyl-U5AZK5IEE7NSC-24344CHEBI:16116DTXSID60203691RefChem:99772DTXCID90126182
Show more names
2-Amino-3-hydroxy-4-methyl-benzoic acid
2-AMINO-3,4-CRESOTIC ACIDNSC 24344UNII-U5AZK5IEE7C03986orb3214611SCHEMBL1005989OYZONAXDAWHDMN-UHFFFAOYSA-NNSC24344
Database identifiers
- CAS
552-14-7- PubChem CID
- 95222
- DTXSID
DTXSID60203691- ChEBI
CHEBI:16116- UNII
- U5AZK5IEE7
- Nikkaji
- J1.165.160G
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
Physicochemical properties
- FDA UNII
- 5 AZK5IEE7 · U5AZK5IEE7
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: An aminobenzoic acid that is anthranilic acid substituted by a hydroxy group at position 3 and a methyl group at position 4.
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Compound notes
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