ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate

C11H17NO3S — CID 61327208

IUPACethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc(C)s1
InChIInChI=1S/C11H17NO3S/c1-3-15-11(13)7-14-6-9(12)10-5-4-8(2)16-10/h4-5,9H,3,6-7,12H2,1-2H3
InChIKeyJGOWXIFZJYCNMW-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.64
Rot. Bonds6

About ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate

ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate (PubChem CID 61327208) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
PubChem CID61327208
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Nameethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc(C)s1
InChIInChI=1S/C11H17NO3S/c1-3-15-11(13)7-14-6-9(12)10-5-4-8(2)16-10/h4-5,9H,3,6-7,12H2,1-2H3
InChIKeyJGOWXIFZJYCNMW-UHFFFAOYSA-N
XLogP1.64
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
CID 61329151
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CID 175002555
(1R)-1-(5-methylthiophen-2-yl)propane-1,3-diamine;hydrochloride
CID 171202338
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CID 60860644
benzene;ethyl 2-ethoxyacetate
CID 174867683
ethyl 2-[2-amino-2-(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)ethoxy]acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate (CID 61327208) is ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate is CCOC(=O)COCC(N)c1ccc(C)s1.
What is the InChIKey of ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate?
The InChIKey is JGOWXIFZJYCNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-15-11(13)7-14-6-9(12)10-5-4-8(2)16-10/h4-5,9H,3,6-7,12H2,1-2H3.
What are the key properties of ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate?
ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate has a molecular weight of 243.33 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate is sourced from PubChem (CID 61327208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).