[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate

C13H20N2O3S — CID 61316392

IUPAC[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC(C)C(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C13H20N2O3S/c1-7(11(16)15-13(3,4)5)18-12(17)10-6-9(14)8(2)19-10/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyFWCWPWBZRFNHJN-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.10
Rot. Bonds3

About [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate

[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate (PubChem CID 61316392) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate.

Molecular Properties

Compound Name[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate
PubChem CID61316392
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate
SMILESCc1sc(C(=O)OC(C)C(=O)NC(C)(C)C)cc1N
InChIInChI=1S/C13H20N2O3S/c1-7(11(16)15-13(3,4)5)18-12(17)10-6-9(14)8(2)19-10/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyFWCWPWBZRFNHJN-UHFFFAOYSA-N
XLogP2.10
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 4,5-dibromothiophene-2-carboxylate
CID 8937877
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-3-methoxybenzoate
CID 104784164
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3,5-difluorobenzoate
CID 8728350
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] (5S)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 8984775
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] (5R)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate
CID 8984777
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-amino-6-bromopyrazine-2-carboxylate
CID 95788283
3,3-dimethylbutyl 4-amino-5-methylthiophene-2-carboxylate
CID 61481561
cyanomethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61316963
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-sulfamoylthiophene-3-carboxylate
CID 18102735
[1-(tert-butylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
CID 46639441
[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 27981740
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate
CID 43015344

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate?
The IUPAC name of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate (CID 61316392) is [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate.
What is the SMILES notation for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate?
The canonical SMILES for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate is Cc1sc(C(=O)OC(C)C(=O)NC(C)(C)C)cc1N.
What is the InChIKey of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate?
The InChIKey is FWCWPWBZRFNHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-7(11(16)15-13(3,4)5)18-12(17)10-6-9(14)8(2)19-10/h6-7H,14H2,1-5H3,(H,15,16).
What are the key properties of [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate?
[1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylamino)-1-oxopropan-2-yl] 4-amino-5-methylthiophene-2-carboxylate is sourced from PubChem (CID 61316392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).