ethyl 2-amino-3-thiophen-3-ylpropanoate

C9H13NO2S — CID 62963496

IUPACethyl 2-amino-3-thiophen-3-ylpropanoate
SMILESCCOC(=O)C(N)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-2-12-9(11)8(10)5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3
InChIKeyMMKQQJNMOQUZNA-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.18
Rot. Bonds4

About ethyl 2-amino-3-thiophen-3-ylpropanoate

ethyl 2-amino-3-thiophen-3-ylpropanoate (PubChem CID 62963496) has the molecular formula C9H13NO2S and a molecular weight of 199.28 g/mol. Its IUPAC name is ethyl 2-amino-3-thiophen-3-ylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-thiophen-3-ylpropanoate
PubChem CID62963496
Molecular FormulaC9H13NO2S
Molecular Weight199.28 g/mol
Exact Mass199.07
IUPAC Nameethyl 2-amino-3-thiophen-3-ylpropanoate
SMILESCCOC(=O)C(N)Cc1ccsc1
InChIInChI=1S/C9H13NO2S/c1-2-12-9(11)8(10)5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3
InChIKeyMMKQQJNMOQUZNA-UHFFFAOYSA-N
XLogP1.18
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-thiophen-3-ylpropanoate?
The IUPAC name of ethyl 2-amino-3-thiophen-3-ylpropanoate (CID 62963496) is ethyl 2-amino-3-thiophen-3-ylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-thiophen-3-ylpropanoate?
The canonical SMILES for ethyl 2-amino-3-thiophen-3-ylpropanoate is CCOC(=O)C(N)Cc1ccsc1.
What is the InChIKey of ethyl 2-amino-3-thiophen-3-ylpropanoate?
The InChIKey is MMKQQJNMOQUZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2S/c1-2-12-9(11)8(10)5-7-3-4-13-6-7/h3-4,6,8H,2,5,10H2,1H3.
What are the key properties of ethyl 2-amino-3-thiophen-3-ylpropanoate?
ethyl 2-amino-3-thiophen-3-ylpropanoate has a molecular weight of 199.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-thiophen-3-ylpropanoate is sourced from PubChem (CID 62963496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).