4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid

C12H16N2O5 — CID 106954846

IUPAC4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
SMILESCOCCNC(=O)COc1cc(N)ccc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-18-5-4-14-11(15)7-19-10-6-8(13)2-3-9(10)12(16)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyDGWBXOKGMMRZKI-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.11
Rot. Bonds7

About 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid

4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid (PubChem CID 106954846) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
PubChem CID106954846
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
SMILESCOCCNC(=O)COc1cc(N)ccc1C(=O)O
InChIInChI=1S/C12H16N2O5/c1-18-5-4-14-11(15)7-19-10-6-8(13)2-3-9(10)12(16)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyDGWBXOKGMMRZKI-UHFFFAOYSA-N
XLogP0.11
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 45293171
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
4-amino-2-[2-(tert-butylamino)-2-oxoethoxy]benzoic acid
CID 106954735
4-amino-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 106954921
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
4-amino-2-[2-(butylamino)-2-oxoethoxy]benzamide
CID 106955557
1-hydroxy-4-[2-(2-methoxyethylamino)-2-oxoethoxy]naphthalene-2-carboxylic acid
CID 3023257
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(4-aminophenoxy)acetate
CID 61485546
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
methyl 4-amino-2-[2-(methylamino)-2-oxoethoxy]benzoate
CID 106955114
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid (CID 106954846) is 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid is COCCNC(=O)COc1cc(N)ccc1C(=O)O.
What is the InChIKey of 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is DGWBXOKGMMRZKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-18-5-4-14-11(15)7-19-10-6-8(13)2-3-9(10)12(16)17/h2-3,6H,4-5,7,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid?
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 106954846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).