ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate

C11H16BrNO2S — CID 61498304

IUPACethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-4-15-11(14)8(3)13-7(2)10-9(12)5-6-16-10/h5-8,13H,4H2,1-3H3
InChIKeyWKPFORLOHOXFJC-UHFFFAOYSA-N
MW306.23 g/mol
LogP3.11
Rot. Bonds5

About ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate

ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate (PubChem CID 61498304) has the molecular formula C11H16BrNO2S and a molecular weight of 306.23 g/mol. Its IUPAC name is ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
PubChem CID61498304
Molecular FormulaC11H16BrNO2S
Molecular Weight306.23 g/mol
Exact Mass305.01
IUPAC Nameethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1sccc1Br
InChIInChI=1S/C11H16BrNO2S/c1-4-15-11(14)8(3)13-7(2)10-9(12)5-6-16-10/h5-8,13H,4H2,1-3H3
InChIKeyWKPFORLOHOXFJC-UHFFFAOYSA-N
XLogP3.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.23
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate 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-(3-bromothiophen-2-yl)-2-(butan-2-ylamino)acetate
CID 115380668
ethyl 2-(3-bromothiophen-2-yl)pentanoate
CID 83043654
diethyl 2-[(3-bromothiophen-2-yl)-hydroxymethyl]propanedioate
CID 113298285
2-[1-(3-bromothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 106344151
2-[1-(3-bromothiophen-2-yl)ethylamino]butan-1-ol
CID 43771158
ethyl (3S)-3-amino-3-(3-bromothiophen-2-yl)propanoate;hydrochloride
CID 171230640
tert-butyl N-[2-[1-(3-bromothiophen-2-yl)ethylamino]butyl]carbamate
CID 107250780
2-[1-(3-bromothiophen-2-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 112551286
N-[1-(3-bromothiophen-2-yl)ethyl]-4-methylpentan-2-amine
CID 43775777
N-[1-(3-bromothiophen-2-yl)ethyl]-1-(4-methylphenyl)ethanamine
CID 54863047
ethyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanoate
CID 107706335
ethyl 2-[1-(4-methylsulfonylphenyl)ethylamino]propanoate
CID 61498386

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate (CID 61498304) is ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1sccc1Br.
What is the InChIKey of ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate?
The InChIKey is WKPFORLOHOXFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO2S/c1-4-15-11(14)8(3)13-7(2)10-9(12)5-6-16-10/h5-8,13H,4H2,1-3H3.
What are the key properties of ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate?
ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate has a molecular weight of 306.23 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(3-bromothiophen-2-yl)ethylamino]propanoate is sourced from PubChem (CID 61498304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).