[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate

C10H14N2O3S — CID 61316599

IUPAC[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1sccc1N
InChIInChI=1S/C10H14N2O3S/c1-6(2)12-8(13)5-15-10(14)9-7(11)3-4-16-9/h3-4,6H,5,11H2,1-2H3,(H,12,13)
InChIKeyLUIKRDGOVGUUEB-UHFFFAOYSA-N
MW242.30 g/mol
LogP1.01
Rot. Bonds4

About [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate

[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate (PubChem CID 61316599) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
PubChem CID61316599
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Name[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate
SMILESCC(C)NC(=O)COC(=O)c1sccc1N
InChIInChI=1S/C10H14N2O3S/c1-6(2)12-8(13)5-15-10(14)9-7(11)3-4-16-9/h3-4,6H,5,11H2,1-2H3,(H,12,13)
InChIKeyLUIKRDGOVGUUEB-UHFFFAOYSA-N
XLogP1.01
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(carbamoylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316598
[2-(cyanomethylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61316603
[2-(cycloheptylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 62574037
[2-oxo-2-(propan-2-ylamino)ethyl] 2,4-diaminobenzoate
CID 61322545
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735629
[2-(oxan-4-ylamino)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 63099562
[2-oxo-2-(propan-2-ylamino)ethyl] 3-amino-4-methylbenzoate
CID 60665621
[2-(azepan-1-yl)-2-oxoethyl] 3-aminothiophene-2-carboxylate
CID 61315453
[2-[[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 9008699
[2-[1-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 3-methylthiophene-2-carboxylate
CID 46860579
[2-oxo-2-(propan-2-ylamino)ethyl] 5-amino-2,4-dimethylbenzoate
CID 104538497
(3-amino-3-oxopropyl) 3-aminothiophene-2-carboxylate
CID 61316606

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate?
The IUPAC name of [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate (CID 61316599) is [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate is CC(C)NC(=O)COC(=O)c1sccc1N.
What is the InChIKey of [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate?
The InChIKey is LUIKRDGOVGUUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6(2)12-8(13)5-15-10(14)9-7(11)3-4-16-9/h3-4,6H,5,11H2,1-2H3,(H,12,13).
What are the key properties of [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate?
[2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate has a molecular weight of 242.30 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(propan-2-ylamino)ethyl] 3-aminothiophene-2-carboxylate is sourced from PubChem (CID 61316599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).