ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate

C10H13NO2S — CID 673140

IUPACethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1N
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11/h5-6H,2-4,11H2,1H3
InChIKeyOUDJEFKPUDVQBS-UHFFFAOYSA-N
MW211.29 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate

ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate (PubChem CID 673140) has the molecular formula C10H13NO2S and a molecular weight of 211.29 g/mol. Its IUPAC name is ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
PubChem CID673140
Molecular FormulaC10H13NO2S
Molecular Weight211.29 g/mol
Exact Mass211.07
IUPAC Nameethyl 2-amino-4-cyclopropylthiophene-3-carboxylate
SMILESCCOC(=O)c1c(C2CC2)csc1N
InChIInChI=1S/C10H13NO2S/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11/h5-6H,2-4,11H2,1H3
InChIKeyOUDJEFKPUDVQBS-UHFFFAOYSA-N
XLogP2.38
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
The IUPAC name of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate (CID 673140) is ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
The canonical SMILES for ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate is CCOC(=O)c1c(C2CC2)csc1N.
What is the InChIKey of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
The InChIKey is OUDJEFKPUDVQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2S/c1-2-13-10(12)8-7(6-3-4-6)5-14-9(8)11/h5-6H,2-4,11H2,1H3.
What are the key properties of ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate?
ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate has a molecular weight of 211.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-cyclopropylthiophene-3-carboxylate is sourced from PubChem (CID 673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).