3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid

C12H15NO6 — CID 119214277

IUPAC3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1cc(C(=O)O)cc(OC)c1OC
InChIInChI=1S/C12H15NO6/c1-17-6-10(14)13-8-4-7(12(15)16)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBBRZVAYHYCKFLZ-UHFFFAOYSA-N
MW269.25 g/mol
LogP0.99
Rot. Bonds6

About 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid

3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid (PubChem CID 119214277) has the molecular formula C12H15NO6 and a molecular weight of 269.25 g/mol. Its IUPAC name is 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
PubChem CID119214277
Molecular FormulaC12H15NO6
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Name3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid
SMILESCOCC(=O)Nc1cc(C(=O)O)cc(OC)c1OC
InChIInChI=1S/C12H15NO6/c1-17-6-10(14)13-8-4-7(12(15)16)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyBBRZVAYHYCKFLZ-UHFFFAOYSA-N
XLogP0.99
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[2-(4-tert-butylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214278
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-4,5-dimethoxybenzoic acid
CID 119214279
3,4-dimethoxy-5-[[2-(2-phenoxyethoxy)acetyl]amino]benzoic acid
CID 119214155
3,4-dimethoxy-5-[[2-(2-phenylethoxy)acetyl]amino]benzoic acid
CID 119214379
3-(5,5-dimethylhexanoylamino)-4,5-dimethoxybenzoic acid
CID 119214383
3,4-dimethoxy-5-(pent-4-enoylamino)benzoic acid
CID 119214233
3,4-dimethoxy-5-[[2-(2-methoxy-5-methylphenyl)acetyl]amino]benzoic acid
CID 119214247
3,4-dimethoxy-5-(2-methylbutanoylamino)benzoic acid
CID 119214125
3-(2-ethylbutanoylamino)-4,5-dimethoxybenzoic acid
CID 120606615
3,4-dimethoxy-5-[(4-methyl-4-phenylpentanoyl)amino]benzoic acid
CID 120521326
3-(2-acetamidopropanoylamino)-4,5-dimethoxybenzoic acid
CID 119214504
4-[2-(2-fluoroanilino)-2-oxoethoxy]-3,5-dimethoxybenzoic acid
CID 99989728

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid?
The IUPAC name of 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid (CID 119214277) is 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid?
The canonical SMILES for 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid is COCC(=O)Nc1cc(C(=O)O)cc(OC)c1OC.
What is the InChIKey of 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid?
The InChIKey is BBRZVAYHYCKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO6/c1-17-6-10(14)13-8-4-7(12(15)16)5-9(18-2)11(8)19-3/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid?
3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid has a molecular weight of 269.25 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-5-[(2-methoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 119214277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).