(2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate

C8H9NO3S — CID 2429049

IUPAC(2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(N)=O)s1
InChIInChI=1S/C8H9NO3S/c1-5-2-3-6(13-5)8(11)12-4-7(9)10/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyAFKKHXCKKBWHIB-UHFFFAOYSA-N
MW199.23 g/mol
LogP0.70
Rot. Bonds3

About (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate

(2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate (PubChem CID 2429049) has the molecular formula C8H9NO3S and a molecular weight of 199.23 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
PubChem CID2429049
Molecular FormulaC8H9NO3S
Molecular Weight199.23 g/mol
Exact Mass199.03
IUPAC Name(2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate
SMILESCc1ccc(C(=O)OCC(N)=O)s1
InChIInChI=1S/C8H9NO3S/c1-5-2-3-6(13-5)8(11)12-4-7(9)10/h2-3H,4H2,1H3,(H2,9,10)
InChIKeyAFKKHXCKKBWHIB-UHFFFAOYSA-N
XLogP0.70
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Cyclohexylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2355136
[2-(Cyclopropylamino)-2-oxoethyl] 5-methylthiophene-2-carboxylate
CID 2407246
(2-amino-2-oxoethyl) 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylate
CID 2535790
Butyl 5-methylthiophene-2-carboxylate
CID 268909
Methyl 5-methyl-2-thiophenecarboxylate
CID 580756
Ethyl 5-methyl-2-thiophenecarboxylate
CID 11019293
2,5-Diethyl 2,5-thiophenedicarboxylate
CID 14993195
(2-Amino-2-oxoethyl) 3-methylthiophene-2-carboxylate
CID 2386750
[2-(Methylamino)-2-oxoethyl] thiophene-2-carboxylate
CID 2435348
(2-Amino-2-oxoethyl) 5-[5-(2-amino-2-oxoethoxy)carbonylthiophen-2-yl]thiophene-2-carboxylate
CID 2499563
(2-Oxo-2-pyrrolidin-1-ylethyl) 5-methylthiophene-2-carboxylate
CID 5068797
Ethyl 5-formylthiophene-2-carboxylate
CID 10797570

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
The IUPAC name of (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate (CID 2429049) is (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate.
What is the SMILES notation for (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
The canonical SMILES for (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate is Cc1ccc(C(=O)OCC(N)=O)s1.
What is the InChIKey of (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
The InChIKey is AFKKHXCKKBWHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3S/c1-5-2-3-6(13-5)8(11)12-4-7(9)10/h2-3H,4H2,1H3,(H2,9,10).
What are the key properties of (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate?
(2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate has a molecular weight of 199.23 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 5-methylthiophene-2-carboxylate is sourced from PubChem (CID 2429049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).