4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid

C13H17NO6 — CID 63744788

IUPAC4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
SMILESCOCCOCC(=O)Nc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H17NO6/c1-18-5-6-20-8-12(15)14-10-7-9(13(16)17)3-4-11(10)19-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKTINYTPQLKNSLV-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.99
Rot. Bonds8

About 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid

4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid (PubChem CID 63744788) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
PubChem CID63744788
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
SMILESCOCCOCC(=O)Nc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C13H17NO6/c1-18-5-6-20-8-12(15)14-10-7-9(13(16)17)3-4-11(10)19-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyKTINYTPQLKNSLV-UHFFFAOYSA-N
XLogP0.99
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2,4-dimethylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28675994
N-(5-amino-2-methoxyphenyl)-2-(3-methoxypropoxy)acetamide
CID 54936528
3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-4-methoxybenzoic acid
CID 28676331
4-methoxy-3-[(3-methoxy-2-methylpropyl)carbamoylamino]benzoic acid
CID 63744816
3,4-dimethoxy-5-[[2-(2-phenoxyethoxy)acetyl]amino]benzoic acid
CID 119214155
3-(7-aminoheptanoylamino)-4-methoxybenzoic acid
CID 63743950
4-[(5-carboxy-2-methoxyphenyl)carbamoyl]benzene-1,3-dicarboxylic acid
CID 53269765
methyl 4-chloro-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 103606710
4-chloro-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018149
4-[[2-(2-methoxyethoxy)acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 43037458
N-(5-amino-2-methoxyphenyl)-2-pentoxyacetamide
CID 43275007
4-methoxy-3-(2-methylpropanoylamino)benzoic acid
CID 63742748

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The IUPAC name of 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid (CID 63744788) is 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The canonical SMILES for 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid is COCCOCC(=O)Nc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
The InChIKey is KTINYTPQLKNSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-18-5-6-20-8-12(15)14-10-7-9(13(16)17)3-4-11(10)19-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid?
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid is sourced from PubChem (CID 63744788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).