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

C12H19NO3S — CID 61329151

IUPACethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc(CC)s1
InChIInChI=1S/C12H19NO3S/c1-3-9-5-6-11(17-9)10(13)7-15-8-12(14)16-4-2/h5-6,10H,3-4,7-8,13H2,1-2H3
InChIKeyRNDYERKVTPECIN-UHFFFAOYSA-N
MW257.35 g/mol
LogP1.89
Rot. Bonds7

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

ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate (PubChem CID 61329151) has the molecular formula C12H19NO3S and a molecular weight of 257.35 g/mol. Its IUPAC name is ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
PubChem CID61329151
Molecular FormulaC12H19NO3S
Molecular Weight257.35 g/mol
Exact Mass257.11
IUPAC Nameethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
SMILESCCOC(=O)COCC(N)c1ccc(CC)s1
InChIInChI=1S/C12H19NO3S/c1-3-9-5-6-11(17-9)10(13)7-15-8-12(14)16-4-2/h5-6,10H,3-4,7-8,13H2,1-2H3
InChIKeyRNDYERKVTPECIN-UHFFFAOYSA-N
XLogP1.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-[2-amino-2-(5-methylthiophen-2-yl)ethoxy]acetate
CID 61327208
ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860644
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
ethyl 2-[(2R)-2-amino-2-(4-bromophenyl)ethoxy]acetate
CID 153439532
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
(1R)-1-(5-ethylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171211735
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 64541181
methyl 2-[2-amino-2-(5-bromo-4-methylthiophen-2-yl)ethoxy]acetate
CID 79991245
(1R)-1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 171211755
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate (CID 61329151) is ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate is CCOC(=O)COCC(N)c1ccc(CC)s1.
What is the InChIKey of ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate?
The InChIKey is RNDYERKVTPECIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3S/c1-3-9-5-6-11(17-9)10(13)7-15-8-12(14)16-4-2/h5-6,10H,3-4,7-8,13H2,1-2H3.
What are the key properties of ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate?
ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate has a molecular weight of 257.35 g/mol, XLogP of 1.89, 7 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-ethylthiophen-2-yl)ethoxy]acetate is sourced from PubChem (CID 61329151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).