[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate

C17H15N3O3S — CID 30978765

IUPAC[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1cccs1
InChIInChI=1S/C17H15N3O3S/c1-11(16(21)20-10-13-3-2-8-24-13)23-17(22)12-4-5-14-15(9-12)19-7-6-18-14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyCJAFUMOEUDMUFU-LLVKDONJSA-N
MW341.39 g/mol
LogP2.55
Rot. Bonds5

About [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate

[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate (PubChem CID 30978765) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
PubChem CID30978765
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
SMILESC[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1cccs1
InChIInChI=1S/C17H15N3O3S/c1-11(16(21)20-10-13-3-2-8-24-13)23-17(22)12-4-5-14-15(9-12)19-7-6-18-14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyCJAFUMOEUDMUFU-LLVKDONJSA-N
XLogP2.55
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959157
[(2R)-1-(benzylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 7676841
[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl] quinoxaline-6-carboxylate
CID 8890040
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985463
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-bromo-4-methoxybenzoate
CID 9309989
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethyl)benzoate
CID 46629469
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 8734898
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 13-oxo-6,7,8,9,10,11-hexahydroazocino[2,1-b]quinazoline-3-carboxylate
CID 55424640
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954782
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 30472348
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] furan-2-carboxylate
CID 651235
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,6-dimethylquinoline-4-carboxylate
CID 18091686

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate (CID 30978765) is [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate is C[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)NCc1cccs1.
What is the InChIKey of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate?
The InChIKey is CJAFUMOEUDMUFU-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-11(16(21)20-10-13-3-2-8-24-13)23-17(22)12-4-5-14-15(9-12)19-7-6-18-14/h2-9,11H,10H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate?
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate has a molecular weight of 341.39 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate is sourced from PubChem (CID 30978765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).