ethoxymethyl 2-amino-3-methylbenzoate

C11H15NO3 — CID 65369778

IUPACethoxymethyl 2-amino-3-methylbenzoate
SMILESCCOCOC(=O)c1cccc(C)c1N
InChIInChI=1S/C11H15NO3/c1-3-14-7-15-11(13)9-6-4-5-8(2)10(9)12/h4-6H,3,7,12H2,1-2H3
InChIKeyOEERNEVMIZNZOC-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.73
Rot. Bonds4

About ethoxymethyl 2-amino-3-methylbenzoate

ethoxymethyl 2-amino-3-methylbenzoate (PubChem CID 65369778) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethoxymethyl 2-amino-3-methylbenzoate.

Molecular Properties

Compound Nameethoxymethyl 2-amino-3-methylbenzoate
PubChem CID65369778
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethoxymethyl 2-amino-3-methylbenzoate
SMILESCCOCOC(=O)c1cccc(C)c1N
InChIInChI=1S/C11H15NO3/c1-3-14-7-15-11(13)9-6-4-5-8(2)10(9)12/h4-6H,3,7,12H2,1-2H3
InChIKeyOEERNEVMIZNZOC-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-hydroxypropyl 2-amino-3-methylbenzoate
CID 65279683
3-(2-amino-3-methylbenzoyl)oxypropanoic acid
CID 63949943
bromo 2-amino-3-methylbenzoate
CID 174426723
2-methylsulfonylethyl 2-amino-3-methylbenzoate
CID 61321149
5-hydroxypentyl 2-amino-3-methylbenzoate
CID 62229599
pyrimidin-2-ylmethyl 2-amino-3-methylbenzoate
CID 62700152
2,3-dihydroxypropyl 2-amino-3-methylbenzoate
CID 82850226
(3-amino-2-methyl-3-oxopropyl) 2-amino-3-methylbenzoate
CID 61322087
6-hydroxyhexyl 2-amino-3-methylbenzoate
CID 103925149
[3-(ethylamino)-3-oxopropyl] 2-amino-3-methylbenzoate
CID 62325192
(3-methylphenyl)methyl 2-amino-3-methylbenzoate
CID 60730677
[2-(carbamoylamino)-2-oxoethyl] 2-amino-3-methylbenzoate
CID 51616264

Frequently Asked Questions

What is the IUPAC name of ethoxymethyl 2-amino-3-methylbenzoate?
The IUPAC name of ethoxymethyl 2-amino-3-methylbenzoate (CID 65369778) is ethoxymethyl 2-amino-3-methylbenzoate.
What is the SMILES notation for ethoxymethyl 2-amino-3-methylbenzoate?
The canonical SMILES for ethoxymethyl 2-amino-3-methylbenzoate is CCOCOC(=O)c1cccc(C)c1N.
What is the InChIKey of ethoxymethyl 2-amino-3-methylbenzoate?
The InChIKey is OEERNEVMIZNZOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-14-7-15-11(13)9-6-4-5-8(2)10(9)12/h4-6H,3,7,12H2,1-2H3.
What are the key properties of ethoxymethyl 2-amino-3-methylbenzoate?
ethoxymethyl 2-amino-3-methylbenzoate has a molecular weight of 209.24 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxymethyl 2-amino-3-methylbenzoate is sourced from PubChem (CID 65369778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).