ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate

C12H19NO2S — CID 60860644

IUPACethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
SMILESCCOC(=O)CCC(N)c1ccc(CC)s1
InChIInChI=1S/C12H19NO2S/c1-3-9-5-7-11(16-9)10(13)6-8-12(14)15-4-2/h5,7,10H,3-4,6,8,13H2,1-2H3
InChIKeyRVHDNZXMJXIPCZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.65
Rot. Bonds6

About ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate

ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate (PubChem CID 60860644) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
PubChem CID60860644
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Nameethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
SMILESCCOC(=O)CCC(N)c1ccc(CC)s1
InChIInChI=1S/C12H19NO2S/c1-3-9-5-7-11(16-9)10(13)6-8-12(14)15-4-2/h5,7,10H,3-4,6,8,13H2,1-2H3
InChIKeyRVHDNZXMJXIPCZ-UHFFFAOYSA-N
XLogP2.65
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate
CID 60860643
ethyl 2-[2-amino-2-(5-ethylthiophen-2-yl)ethoxy]acetate
CID 61329151
1-(5-ethylthiophen-2-yl)-4-methylpent-4-en-1-amine
CID 105039697
methyl (3S)-3-amino-3-(5-ethylthiophen-2-yl)propanoate;hydrochloride
CID 171243576
ethyl 5-amino-5-(5-bromothiophen-2-yl)pentanoate
CID 61104183
2-amino-2-(5-ethylthiophen-2-yl)ethanol
CID 62345942
ethyl 6-amino-6-(5-chlorothiophen-2-yl)hexanoate
CID 60862670
ethyl 4-amino-4-(4-bromophenyl)butanoate
CID 60861000
ethyl 4-amino-4-(5-chloro-4-methylthiophen-2-yl)butanoate
CID 102764305
(1R)-1-(5-ethylthiophen-2-yl)pentane-1,5-diamine;hydrochloride
CID 171211731
ethyl 3-(5-ethylthiophen-2-yl)-3-piperidin-1-ylpropanoate
CID 64541181
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-amine
CID 105004261

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate?
The IUPAC name of ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate (CID 60860644) is ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate.
What is the SMILES notation for ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate?
The canonical SMILES for ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate is CCOC(=O)CCC(N)c1ccc(CC)s1.
What is the InChIKey of ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate?
The InChIKey is RVHDNZXMJXIPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-9-5-7-11(16-9)10(13)6-8-12(14)15-4-2/h5,7,10H,3-4,6,8,13H2,1-2H3.
What are the key properties of ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate?
ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate has a molecular weight of 241.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-4-(5-ethylthiophen-2-yl)butanoate is sourced from PubChem (CID 60860644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).