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

C15H25NO2S — CID 66338499

IUPACtert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
SMILESCc1cc(C(C)NC(C)C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C15H25NO2S/c1-9-8-13(12(4)19-9)10(2)16-11(3)14(17)18-15(5,6)7/h8,10-11,16H,1-7H3
InChIKeySSVXOJVMAYQGJL-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.75
Rot. Bonds4

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

tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate (PubChem CID 66338499) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate.

Molecular Properties

Compound Nametert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
PubChem CID66338499
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Nametert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
SMILESCc1cc(C(C)NC(C)C(=O)OC(C)(C)C)c(C)s1
InChIInChI=1S/C15H25NO2S/c1-9-8-13(12(4)19-9)10(2)16-11(3)14(17)18-15(5,6)7/h8,10-11,16H,1-7H3
InChIKeySSVXOJVMAYQGJL-UHFFFAOYSA-N
XLogP3.75
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate
CID 61498588
tert-butyl N-[2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]pentyl]carbamate
CID 107253757
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]propan-2-amine
CID 43200633
tert-butyl N-[(E)-4-[1-(2,5-dimethylthiophen-3-yl)ethylamino]but-2-enyl]carbamate
CID 107253131
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-hydroxy-2-methylpropanamide
CID 104936594
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-N-(2-methylcyclohexyl)propanamide
CID 112825969
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
(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
methyl 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-hydroxy-2-methylpropanoate
CID 104644203
tert-butyl 2-[1-(4-chlorophenyl)ethylamino]propanoate
CID 64686510

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
The IUPAC name of tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate (CID 66338499) is tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate.
What is the SMILES notation for tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
The canonical SMILES for tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate is Cc1cc(C(C)NC(C)C(=O)OC(C)(C)C)c(C)s1.
What is the InChIKey of tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
The InChIKey is SSVXOJVMAYQGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-9-8-13(12(4)19-9)10(2)16-11(3)14(17)18-15(5,6)7/h8,10-11,16H,1-7H3.
What are the key properties of tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate?
tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate has a molecular weight of 283.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[1-(2,5-dimethylthiophen-3-yl)ethylamino]propanoate is sourced from PubChem (CID 66338499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).