[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate

C14H16N2O3S — CID 7284507

IUPAC[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1cccn1C)c1cccs1
InChIInChI=1S/C14H16N2O3S/c1-10(12-6-4-8-20-12)15-13(17)9-19-14(18)11-5-3-7-16(11)2/h3-8,10H,9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyBTWYUCNFFQTOOM-JTQLQIEISA-N
MW292.36 g/mol
LogP2.12
Rot. Bonds5

About [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate

[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 7284507) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate
PubChem CID7284507
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate
SMILESC[C@H](NC(=O)COC(=O)c1cccn1C)c1cccs1
InChIInChI=1S/C14H16N2O3S/c1-10(12-6-4-8-20-12)15-13(17)9-19-14(18)11-5-3-7-16(11)2/h3-8,10H,9H2,1-2H3,(H,15,17)/t10-/m0/s1
InChIKeyBTWYUCNFFQTOOM-JTQLQIEISA-N
XLogP2.12
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate (CID 7284507) is [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate is C[C@H](NC(=O)COC(=O)c1cccn1C)c1cccs1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is BTWYUCNFFQTOOM-JTQLQIEISA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-10(12-6-4-8-20-12)15-13(17)9-19-14(18)11-5-3-7-16(11)2/h3-8,10H,9H2,1-2H3,(H,15,17)/t10-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate?
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 292.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 7284507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).