ethyl 4-amino-2-(2-methoxyethoxy)benzoate

C12H17NO4 — CID 106955360

IUPACethyl 4-amino-2-(2-methoxyethoxy)benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCCOC
InChIInChI=1S/C12H17NO4/c1-3-16-12(14)10-5-4-9(13)8-11(10)17-7-6-15-2/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyGOLBFOHKQXZXLU-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.47
Rot. Bonds6

About ethyl 4-amino-2-(2-methoxyethoxy)benzoate

ethyl 4-amino-2-(2-methoxyethoxy)benzoate (PubChem CID 106955360) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 4-amino-2-(2-methoxyethoxy)benzoate.

Molecular Properties

Compound Nameethyl 4-amino-2-(2-methoxyethoxy)benzoate
PubChem CID106955360
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 4-amino-2-(2-methoxyethoxy)benzoate
SMILESCCOC(=O)c1ccc(N)cc1OCCOC
InChIInChI=1S/C12H17NO4/c1-3-16-12(14)10-5-4-9(13)8-11(10)17-7-6-15-2/h4-5,8H,3,6-7,13H2,1-2H3
InChIKeyGOLBFOHKQXZXLU-UHFFFAOYSA-N
XLogP1.47
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
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

ethyl 4-amino-2-(2-propan-2-ylsulfonylethoxy)benzoate
CID 106955408
ethyl 4-amino-2-[2-[di(propan-2-yl)amino]ethoxy]benzoate;phosphoric acid
CID 134109853
4-amino-2-[2-(2-methoxyethoxy)ethoxy]benzoic acid
CID 104564131
ethyl 4-amino-2-(3-pyrrolidin-1-ylpropoxy)benzoate
CID 106955343
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethane;ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate
CID 143274795
ethyl 4-amino-2-(2-thiophen-3-ylethoxy)benzoate
CID 106955324
ethyl 4-amino-2-(4-cyano-4-methylpentoxy)benzoate
CID 106955402
4-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoyl chloride
CID 102159784
4-amino-N-ethyl-2-[2-(2-methoxyethoxy)ethoxy]benzamide
CID 104559956
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethoxy]benzoate
CID 106955362
ethyl 2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 10448213

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-(2-methoxyethoxy)benzoate?
The IUPAC name of ethyl 4-amino-2-(2-methoxyethoxy)benzoate (CID 106955360) is ethyl 4-amino-2-(2-methoxyethoxy)benzoate.
What is the SMILES notation for ethyl 4-amino-2-(2-methoxyethoxy)benzoate?
The canonical SMILES for ethyl 4-amino-2-(2-methoxyethoxy)benzoate is CCOC(=O)c1ccc(N)cc1OCCOC.
What is the InChIKey of ethyl 4-amino-2-(2-methoxyethoxy)benzoate?
The InChIKey is GOLBFOHKQXZXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-12(14)10-5-4-9(13)8-11(10)17-7-6-15-2/h4-5,8H,3,6-7,13H2,1-2H3.
What are the key properties of ethyl 4-amino-2-(2-methoxyethoxy)benzoate?
ethyl 4-amino-2-(2-methoxyethoxy)benzoate has a molecular weight of 239.27 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-(2-methoxyethoxy)benzoate is sourced from PubChem (CID 106955360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).