ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate

C13H19NO4S — CID 66934051

IUPACethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate
SMILESCCOC(=O)CN(CCc1cccs1)C(=O)OCC
InChIInChI=1S/C13H19NO4S/c1-3-17-12(15)10-14(13(16)18-4-2)8-7-11-6-5-9-19-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyUOAVQRWRJJZQGK-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.31
Rot. Bonds7

About ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate

ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate (PubChem CID 66934051) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate
PubChem CID66934051
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nameethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate
SMILESCCOC(=O)CN(CCc1cccs1)C(=O)OCC
InChIInChI=1S/C13H19NO4S/c1-3-17-12(15)10-14(13(16)18-4-2)8-7-11-6-5-9-19-11/h5-6,9H,3-4,7-8,10H2,1-2H3
InChIKeyUOAVQRWRJJZQGK-UHFFFAOYSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate?
The IUPAC name of ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate (CID 66934051) is ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate?
The canonical SMILES for ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate is CCOC(=O)CN(CCc1cccs1)C(=O)OCC.
What is the InChIKey of ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate?
The InChIKey is UOAVQRWRJJZQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-3-17-12(15)10-14(13(16)18-4-2)8-7-11-6-5-9-19-11/h5-6,9H,3-4,7-8,10H2,1-2H3.
What are the key properties of ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate?
ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate has a molecular weight of 285.37 g/mol, XLogP of 2.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxycarbonyl(2-thiophen-2-ylethyl)amino]acetate is sourced from PubChem (CID 66934051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).