2-methoxyethyl 3-amino-2-methylbenzoate

C11H15NO3 — CID 19804739

IUPAC2-methoxyethyl 3-amino-2-methylbenzoate
SMILESCOCCOC(=O)c1cccc(N)c1C
InChIInChI=1S/C11H15NO3/c1-8-9(4-3-5-10(8)12)11(13)15-7-6-14-2/h3-5H,6-7,12H2,1-2H3
InChIKeyFZMYFUWCWBPYDE-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds4

About 2-methoxyethyl 3-amino-2-methylbenzoate

2-methoxyethyl 3-amino-2-methylbenzoate (PubChem CID 19804739) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2-methoxyethyl 3-amino-2-methylbenzoate.

Molecular Properties

Compound Name2-methoxyethyl 3-amino-2-methylbenzoate
PubChem CID19804739
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name2-methoxyethyl 3-amino-2-methylbenzoate
SMILESCOCCOC(=O)c1cccc(N)c1C
InChIInChI=1S/C11H15NO3/c1-8-9(4-3-5-10(8)12)11(13)15-7-6-14-2/h3-5H,6-7,12H2,1-2H3
InChIKeyFZMYFUWCWBPYDE-UHFFFAOYSA-N
XLogP1.38
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methoxyethylamino)-2-oxoethyl] 3-amino-2-methylbenzoate
CID 61485788
2-pyrrolidin-1-ylethyl 3-amino-2-methylbenzoate
CID 107913340
1-(3-amino-2-methylphenyl)-2-methoxyethanone
CID 116604310
2-pyridin-3-ylethyl 3-amino-2-methylbenzoate
CID 63262806
3-methoxypropyl 2-aminobenzoate
CID 61278385
(4-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 61308912
(4-cyano-4-methylpentyl) 3-amino-2-methylbenzoate
CID 65254665
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] benzene-1,2-dicarboxylate
CID 153260877
(4-carbamoylphenyl)methyl 3-amino-2-methylbenzoate
CID 61321139
(2-fluoro-3-methoxyphenyl)methyl 3-amino-2-methylbenzoate
CID 104794373
3-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbenzamide
CID 106152007

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-amino-2-methylbenzoate?
The IUPAC name of 2-methoxyethyl 3-amino-2-methylbenzoate (CID 19804739) is 2-methoxyethyl 3-amino-2-methylbenzoate.
What is the SMILES notation for 2-methoxyethyl 3-amino-2-methylbenzoate?
The canonical SMILES for 2-methoxyethyl 3-amino-2-methylbenzoate is COCCOC(=O)c1cccc(N)c1C.
What is the InChIKey of 2-methoxyethyl 3-amino-2-methylbenzoate?
The InChIKey is FZMYFUWCWBPYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-9(4-3-5-10(8)12)11(13)15-7-6-14-2/h3-5H,6-7,12H2,1-2H3.
What are the key properties of 2-methoxyethyl 3-amino-2-methylbenzoate?
2-methoxyethyl 3-amino-2-methylbenzoate has a molecular weight of 209.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-amino-2-methylbenzoate is sourced from PubChem (CID 19804739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).