ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate

C13H21NO2S — CID 61498588

IUPACethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1cc(C)sc1C
InChIInChI=1S/C13H21NO2S/c1-6-16-13(15)10(4)14-9(3)12-7-8(2)17-11(12)5/h7,9-10,14H,6H2,1-5H3
InChIKeyZYYHYCIFQZBOKW-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.97
Rot. Bonds5

About ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate

ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate (PubChem CID 61498588) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Nameethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
PubChem CID61498588
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Nameethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
SMILESCCOC(=O)C(C)NC(C)c1cc(C)sc1C
InChIInChI=1S/C13H21NO2S/c1-6-16-13(15)10(4)14-9(3)12-7-8(2)17-11(12)5/h7,9-10,14H,6H2,1-5H3
InChIKeyZYYHYCIFQZBOKW-UHFFFAOYSA-N
XLogP2.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 66338499
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
ethyl 2-[1-(2-hydroxy-5-methylphenyl)ethylamino]propanoate
CID 54960179
tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
CID 107253757
ethyl 2-[(2,5-dimethylthiophen-3-yl)sulfonylamino]propanoate
CID 47072937
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-1-amine
CID 43200455
ethyl 2-[1-(3,5-dihydroxyphenyl)ethylamino]propanoate
CID 107706335
ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-oxoethyl]butanamide
CID 47297770
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
(2S)-2-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 124614367

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
The IUPAC name of ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate (CID 61498588) is ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate.
What is the SMILES notation for ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
The canonical SMILES for ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate is CCOC(=O)C(C)NC(C)c1cc(C)sc1C.
What is the InChIKey of ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
The InChIKey is ZYYHYCIFQZBOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-6-16-13(15)10(4)14-9(3)12-7-8(2)17-11(12)5/h7,9-10,14H,6H2,1-5H3.
What are the key properties of ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate has a molecular weight of 255.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate is sourced from PubChem (CID 61498588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).