2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid

C10H11NO5 — CID 151960724

IUPAC2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
SMILESCOc1cc(C)c(C(=O)O)c(N)c1C(=O)O
InChIInChI=1S/C10H11NO5/c1-4-3-5(16-2)7(10(14)15)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyTYPCJNVFICWIJN-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.98
Rot. Bonds3

About 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid

2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid (PubChem CID 151960724) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
PubChem CID151960724
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid
SMILESCOc1cc(C)c(C(=O)O)c(N)c1C(=O)O
InChIInChI=1S/C10H11NO5/c1-4-3-5(16-2)7(10(14)15)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyTYPCJNVFICWIJN-UHFFFAOYSA-N
XLogP0.98
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-chloro-4,6-dimethoxybenzoic acid
CID 136575886
2-chloro-6-fluoro-5-methoxy-3-methylaniline;2-chloro-6-fluoro-5-methoxy-3-methylbenzoic acid
CID 157165383
2,5-dimethoxy-3,6-dimethylbenzoic acid
CID 23538696
2-amino-3-bromo-6-methoxybenzoic acid
CID 62378772
2-amino-3-bromo-4,6-dimethylbenzoic acid
CID 139311002
3-ethyl-2,4-dimethoxy-6-methylbenzoic acid
CID 86188717
6-methoxy-2,4-dimethyl-3-nitrobenzoic acid
CID 50883102
3-methoxy-5-methylphthalic acid
CID 12908895
2-hydroxy-4-methoxy-6-methyl-3-phenylmethoxycarbonylbenzoic acid
CID 10860036
6-amino-2-hydroxy-3-methoxybenzoic acid
CID 84768914
6-amino-2,3,4-trimethoxybenzoic acid
CID 13036392
2-bromo-6-methoxy-4-methylbenzoic acid
CID 84802763

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid?
The IUPAC name of 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid (CID 151960724) is 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid.
What is the SMILES notation for 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid?
The canonical SMILES for 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid is COc1cc(C)c(C(=O)O)c(N)c1C(=O)O.
What is the InChIKey of 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid?
The InChIKey is TYPCJNVFICWIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-4-3-5(16-2)7(10(14)15)8(11)6(4)9(12)13/h3H,11H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid?
2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methoxy-6-methylbenzene-1,3-dicarboxylic acid is sourced from PubChem (CID 151960724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).