[2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

C11H13NO3S — CID 2387388

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C11H13NO3S/c1-7-4-5-16-10(7)11(14)15-6-9(13)12-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKeyZHBLDPXRPFTALY-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.49
Rot. Bonds4

About [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate

[2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (PubChem CID 2387388) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
PubChem CID2387388
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate
SMILESCc1ccsc1C(=O)OCC(=O)NC1CC1
InChIInChI=1S/C11H13NO3S/c1-7-4-5-16-10(7)11(14)15-6-9(13)12-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13)
InChIKeyZHBLDPXRPFTALY-UHFFFAOYSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate (CID 2387388) is [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is Cc1ccsc1C(=O)OCC(=O)NC1CC1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
The InChIKey is ZHBLDPXRPFTALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-4-5-16-10(7)11(14)15-6-9(13)12-8-2-3-8/h4-5,8H,2-3,6H2,1H3,(H,12,13).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate?
[2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 3-methylthiophene-2-carboxylate is sourced from PubChem (CID 2387388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).