ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate

C10H15NO3S — CID 19064904

IUPACethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(OC)c(CC)c1N
InChIInChI=1S/C10H15NO3S/c1-4-6-7(11)8(9(12)14-5-2)15-10(6)13-3/h4-5,11H2,1-3H3
InChIKeyLBOUTFAHUBPDOM-UHFFFAOYSA-N
MW229.30 g/mol
LogP2.08
Rot. Bonds4

About ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate

ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate (PubChem CID 19064904) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate
PubChem CID19064904
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate
SMILESCCOC(=O)c1sc(OC)c(CC)c1N
InChIInChI=1S/C10H15NO3S/c1-4-6-7(11)8(9(12)14-5-2)15-10(6)13-3/h4-5,11H2,1-3H3
InChIKeyLBOUTFAHUBPDOM-UHFFFAOYSA-N
XLogP2.08
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-4-ethyl-5-(4-methoxyphenyl)thiophene-2-carboxylate
CID 63398786
ethyl 3-amino-5-methoxy-4-phenylthiophene-2-carboxylate
CID 19064926
ethyl 3-amino-5-(2,6-difluorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398484
ethyl 3-amino-4-methoxy-5-(pentan-3-ylamino)thiophene-2-carboxylate
CID 103424037
ethyl 3-amino-5-(2,3-dimethylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398787
ethyl 3-amino-5-carbamoyl-4-methylthiophene-2-carboxylate
CID 602876
ethyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417399
ethyl 3-amino-5-(3-chlorophenyl)-4-ethylthiophene-2-carboxylate
CID 63398785
ethyl 3-amino-5-(3-chloro-4-methylphenyl)-4-ethylthiophene-2-carboxylate
CID 63398955
2-O-ethyl 4-O-methyl 3-amino-5-(dimethylamino)thiophene-2,4-dicarboxylate
CID 103420166
ethyl 3-amino-5-(3-bromo-4-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 107955531
ethyl 3-amino-5-(2-bromo-3-fluorophenyl)-4-ethylthiophene-2-carboxylate
CID 81499405

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate?
The IUPAC name of ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate (CID 19064904) is ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate.
What is the SMILES notation for ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate?
The canonical SMILES for ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate is CCOC(=O)c1sc(OC)c(CC)c1N.
What is the InChIKey of ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate?
The InChIKey is LBOUTFAHUBPDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-6-7(11)8(9(12)14-5-2)15-10(6)13-3/h4-5,11H2,1-3H3.
What are the key properties of ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate?
ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate has a molecular weight of 229.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-ethyl-5-methoxythiophene-2-carboxylate is sourced from PubChem (CID 19064904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).