tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate

C13H19NO4S — CID 19834269

IUPACtert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
SMILESCOC(=O)CNC(C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C13H19NO4S/c1-13(2,3)18-12(16)11(9-6-5-7-19-9)14-8-10(15)17-4/h5-7,11,14H,8H2,1-4H3
InChIKeyIIZLLWNTVVFIIL-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.89
Rot. Bonds5

About tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate

tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate (PubChem CID 19834269) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
PubChem CID19834269
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Nametert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate
SMILESCOC(=O)CNC(C(=O)OC(C)(C)C)c1cccs1
InChIInChI=1S/C13H19NO4S/c1-13(2,3)18-12(16)11(9-6-5-7-19-9)14-8-10(15)17-4/h5-7,11,14H,8H2,1-4H3
InChIKeyIIZLLWNTVVFIIL-UHFFFAOYSA-N
XLogP1.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 2-amino-3-[(2-methoxy-2-oxo-1-thiophen-2-ylethyl)amino]-3-oxopropanoate
CID 67924715
tert-butyl 2-thiophen-2-ylpropanoate
CID 66337067
methyl 2-thiophen-2-yl-2-(2,2,2-trifluoroethylamino)acetate
CID 61345565
methyl 2-[[cyclopropyl(thiophen-2-yl)methyl]amino]acetate
CID 60714004
3-[(2-methylpropan-2-yl)oxy]-3-oxo-2-thiophen-2-ylpropanoic acid
CID 20544905
tert-butyl 2-(1-thiophen-2-ylethylamino)propanoate
CID 64686931
methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 69345751
tert-butyl 2-(1-thiophen-2-ylpropylamino)propanoate
CID 66338688
methyl 2-[[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]amino]acetate
CID 94176340
ethyl 2-(prop-2-ynylamino)-2-thiophen-2-ylacetate
CID 62365133
tert-butyl 2-(thiophen-2-ylamino)acetate
CID 57324703
tert-butyl N-[(2S)-2-hydroxy-2-thiophen-2-ylethyl]carbamate
CID 12071428

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate?
The IUPAC name of tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate (CID 19834269) is tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate.
What is the SMILES notation for tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate?
The canonical SMILES for tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate is COC(=O)CNC(C(=O)OC(C)(C)C)c1cccs1.
What is the InChIKey of tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate?
The InChIKey is IIZLLWNTVVFIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-13(2,3)18-12(16)11(9-6-5-7-19-9)14-8-10(15)17-4/h5-7,11,14H,8H2,1-4H3.
What are the key properties of tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate?
tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate has a molecular weight of 285.37 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methoxy-2-oxoethyl)amino]-2-thiophen-2-ylacetate is sourced from PubChem (CID 19834269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).