2-ethoxyethyl 2-amino-6-methoxybenzoate

C12H17NO4 — CID 81414860

IUPAC2-ethoxyethyl 2-amino-6-methoxybenzoate
SMILESCCOCCOC(=O)c1c(N)cccc1OC
InChIInChI=1S/C12H17NO4/c1-3-16-7-8-17-12(14)11-9(13)5-4-6-10(11)15-2/h4-6H,3,7-8,13H2,1-2H3
InChIKeyLTWXFHYAGSYVFC-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.47
Rot. Bonds6

About 2-ethoxyethyl 2-amino-6-methoxybenzoate

2-ethoxyethyl 2-amino-6-methoxybenzoate (PubChem CID 81414860) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-ethoxyethyl 2-amino-6-methoxybenzoate.

Molecular Properties

Compound Name2-ethoxyethyl 2-amino-6-methoxybenzoate
PubChem CID81414860
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-ethoxyethyl 2-amino-6-methoxybenzoate
SMILESCCOCCOC(=O)c1c(N)cccc1OC
InChIInChI=1S/C12H17NO4/c1-3-16-7-8-17-12(14)11-9(13)5-4-6-10(11)15-2/h4-6H,3,7-8,13H2,1-2H3
InChIKeyLTWXFHYAGSYVFC-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

2-hydroxyethyl 2-amino-6-methoxybenzoate
CID 81413891
3-(2-amino-6-methoxybenzoyl)oxypropanoic acid
CID 81414041
methyl 2-amino-6-(3-ethoxypropoxy)benzoate
CID 107341819
2-(2,2,2-trifluoroethoxy)ethyl 2-amino-6-ethoxybenzoate
CID 81396529
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
(2-amino-2-oxoethyl) 2-amino-6-methoxybenzoate
CID 81414867
2-thiophen-2-ylethyl 2-amino-6-methoxybenzoate
CID 81413803
3-(2,2,2-trifluoroethoxy)propyl 2-amino-6-methoxybenzoate
CID 81395083
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
3-(2,6-dimethoxybenzoyl)oxypropyl 2,6-dimethoxybenzoate
CID 4829079
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-amino-6-chlorobenzoate
CID 104563019
[2-[methyl(propan-2-yl)amino]-2-oxoethyl] 2-amino-6-methoxybenzoate
CID 81414457

Frequently Asked Questions

What is the IUPAC name of 2-ethoxyethyl 2-amino-6-methoxybenzoate?
The IUPAC name of 2-ethoxyethyl 2-amino-6-methoxybenzoate (CID 81414860) is 2-ethoxyethyl 2-amino-6-methoxybenzoate.
What is the SMILES notation for 2-ethoxyethyl 2-amino-6-methoxybenzoate?
The canonical SMILES for 2-ethoxyethyl 2-amino-6-methoxybenzoate is CCOCCOC(=O)c1c(N)cccc1OC.
What is the InChIKey of 2-ethoxyethyl 2-amino-6-methoxybenzoate?
The InChIKey is LTWXFHYAGSYVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-16-7-8-17-12(14)11-9(13)5-4-6-10(11)15-2/h4-6H,3,7-8,13H2,1-2H3.
What are the key properties of 2-ethoxyethyl 2-amino-6-methoxybenzoate?
2-ethoxyethyl 2-amino-6-methoxybenzoate 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 2-ethoxyethyl 2-amino-6-methoxybenzoate is sourced from PubChem (CID 81414860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).