2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid

C16H15NO5 — CID 67694082

IUPAC2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
SMILESCOc1cccc(OC)c1C(=O)c1cccc(C(=O)O)c1N
InChIInChI=1S/C16H15NO5/c1-21-11-7-4-8-12(22-2)13(11)15(18)9-5-3-6-10(14(9)17)16(19)20/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyWKJUZCCCSKLCDX-UHFFFAOYSA-N
MW301.30 g/mol
LogP2.22
Rot. Bonds5

About 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid

2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid (PubChem CID 67694082) has the molecular formula C16H15NO5 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
PubChem CID67694082
Molecular FormulaC16H15NO5
Molecular Weight301.30 g/mol
Exact Mass301.10
IUPAC Name2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid
SMILESCOc1cccc(OC)c1C(=O)c1cccc(C(=O)O)c1N
InChIInChI=1S/C16H15NO5/c1-21-11-7-4-8-12(22-2)13(11)15(18)9-5-3-6-10(14(9)17)16(19)20/h3-8H,17H2,1-2H3,(H,19,20)
InChIKeyWKJUZCCCSKLCDX-UHFFFAOYSA-N
XLogP2.22
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2-amino-3-methoxyphenyl)-phenylmethanone
CID 18185399
2-aminobenzene-1,3-dicarboxylic acid;cobalt
CID 174944347
2-amino-3-methoxycarbonylbenzoic acid
CID 2794812
methyl 2-(2,6-dimethoxybenzoyl)benzoate
CID 71397959
2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
(2,3-dichlorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 114970477
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-amino-3-(2-methylprop-2-enoyloxy)benzoic acid
CID 23083813
(2-amino-3-methoxyphenyl)-(3,5-difluorophenyl)methanone
CID 107469180
(5-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116811602

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid?
The IUPAC name of 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid (CID 67694082) is 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid.
What is the SMILES notation for 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid?
The canonical SMILES for 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid is COc1cccc(OC)c1C(=O)c1cccc(C(=O)O)c1N.
What is the InChIKey of 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid?
The InChIKey is WKJUZCCCSKLCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO5/c1-21-11-7-4-8-12(22-2)13(11)15(18)9-5-3-6-10(14(9)17)16(19)20/h3-8H,17H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid?
2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid has a molecular weight of 301.30 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,6-dimethoxybenzoyl)benzoic acid is sourced from PubChem (CID 67694082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).