ethyl 2-amino-3-methoxy-5-methylbenzoate

C11H15NO3 — CID 54595934

IUPACethyl 2-amino-3-methoxy-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)cc(OC)c1N
InChIInChI=1S/C11H15NO3/c1-4-15-11(13)8-5-7(2)6-9(14-3)10(8)12/h5-6H,4,12H2,1-3H3
InChIKeyUBEPYWNTIOFOIH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.76
Rot. Bonds3

About ethyl 2-amino-3-methoxy-5-methylbenzoate

ethyl 2-amino-3-methoxy-5-methylbenzoate (PubChem CID 54595934) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl 2-amino-3-methoxy-5-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-methoxy-5-methylbenzoate
PubChem CID54595934
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl 2-amino-3-methoxy-5-methylbenzoate
SMILESCCOC(=O)c1cc(C)cc(OC)c1N
InChIInChI=1S/C11H15NO3/c1-4-15-11(13)8-5-7(2)6-9(14-3)10(8)12/h5-6H,4,12H2,1-3H3
InChIKeyUBEPYWNTIOFOIH-UHFFFAOYSA-N
XLogP1.76
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-methoxy-5-methylsulfanylbenzoate
CID 107367701
2-amino-3-methoxy-5-methylbenzoate
CID 9442555
methyl 2-amino-3-[(2-amino-3-ethoxycarbonyl-5-methylphenyl)disulfanyl]-5-methylbenzoate
CID 170667653
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
propan-2-yl 2-amino-3-(2-methoxyethoxy)-5-methylbenzoate
CID 60856722
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 3-amino-2-chloro-5-methylbenzoate
CID 131383830
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-methoxy-5-methylbenzoate?
The IUPAC name of ethyl 2-amino-3-methoxy-5-methylbenzoate (CID 54595934) is ethyl 2-amino-3-methoxy-5-methylbenzoate.
What is the SMILES notation for ethyl 2-amino-3-methoxy-5-methylbenzoate?
The canonical SMILES for ethyl 2-amino-3-methoxy-5-methylbenzoate is CCOC(=O)c1cc(C)cc(OC)c1N.
What is the InChIKey of ethyl 2-amino-3-methoxy-5-methylbenzoate?
The InChIKey is UBEPYWNTIOFOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-4-15-11(13)8-5-7(2)6-9(14-3)10(8)12/h5-6H,4,12H2,1-3H3.
What are the key properties of ethyl 2-amino-3-methoxy-5-methylbenzoate?
ethyl 2-amino-3-methoxy-5-methylbenzoate has a molecular weight of 209.24 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-methoxy-5-methylbenzoate is sourced from PubChem (CID 54595934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).