ethyl 2-acetamidoacetate;thiophene

C10H15NO3S — CID 174681300

IUPACethyl 2-acetamidoacetate;thiophene
SMILESCCOC(=O)CNC(C)=O.c1ccsc1
InChIInChI=1S/C6H11NO3.C4H4S/c1-3-10-6(9)4-7-5(2)8;1-2-4-5-3-1/h3-4H2,1-2H3,(H,7,8);1-4H
InChIKeyOMORYEJLHHHHHT-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.43
Rot. Bonds3

About ethyl 2-acetamidoacetate;thiophene

ethyl 2-acetamidoacetate;thiophene (PubChem CID 174681300) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 2-acetamidoacetate;thiophene.

Molecular Properties

Compound Nameethyl 2-acetamidoacetate;thiophene
PubChem CID174681300
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 2-acetamidoacetate;thiophene
SMILESCCOC(=O)CNC(C)=O.c1ccsc1
InChIInChI=1S/C6H11NO3.C4H4S/c1-3-10-6(9)4-7-5(2)8;1-2-4-5-3-1/h3-4H2,1-2H3,(H,7,8);1-4H
InChIKeyOMORYEJLHHHHHT-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamidoacetate;thiophene?
The IUPAC name of ethyl 2-acetamidoacetate;thiophene (CID 174681300) is ethyl 2-acetamidoacetate;thiophene.
What is the SMILES notation for ethyl 2-acetamidoacetate;thiophene?
The canonical SMILES for ethyl 2-acetamidoacetate;thiophene is CCOC(=O)CNC(C)=O.c1ccsc1.
What is the InChIKey of ethyl 2-acetamidoacetate;thiophene?
The InChIKey is OMORYEJLHHHHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C4H4S/c1-3-10-6(9)4-7-5(2)8;1-2-4-5-3-1/h3-4H2,1-2H3,(H,7,8);1-4H.
What are the key properties of ethyl 2-acetamidoacetate;thiophene?
ethyl 2-acetamidoacetate;thiophene has a molecular weight of 229.30 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamidoacetate;thiophene is sourced from PubChem (CID 174681300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).