[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

C18H21N3O4S — CID 30472348

IUPAC[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESC[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NCc1cccs1
InChIInChI=1S/C18H21N3O4S/c1-13(17(22)20-12-15-3-2-10-26-15)25-18(23)14-4-5-16(19-11-14)21-6-8-24-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyTYJDFBYRWRQHAM-ZDUSSCGKSA-N
MW375.45 g/mol
LogP1.84
Rot. Bonds6

About [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate

[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate (PubChem CID 30472348) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
PubChem CID30472348
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
SMILESC[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NCc1cccs1
InChIInChI=1S/C18H21N3O4S/c1-13(17(22)20-12-15-3-2-10-26-15)25-18(23)14-4-5-16(19-11-14)21-6-8-24-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,22)/t13-/m0/s1
InChIKeyTYJDFBYRWRQHAM-ZDUSSCGKSA-N
XLogP1.84
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate with MolForge

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Related Compounds

[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] quinoxaline-6-carboxylate
CID 30978765
[1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(trifluoromethyl)benzoate
CID 46629469
2-methoxy-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]propanamide
CID 47303387
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-phenylmethoxybenzoate
CID 8734898
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 2,3-dimethylquinoxaline-6-carboxylate
CID 8959157
N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenoxypropanamide
CID 18145200
[(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 8985463
[1-[cyclohexyl(1,3-thiazol-2-yl)amino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 24600777
N-[3-methyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 42932311
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 3-bromo-4-methoxybenzoate
CID 9309989
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 4-(ethylsulfamoyl)benzoate
CID 8954782
[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate
CID 16962105

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
The IUPAC name of [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate (CID 30472348) is [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate.
What is the SMILES notation for [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
The canonical SMILES for [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate is C[C@H](OC(=O)c1ccc(N2CCOCC2)nc1)C(=O)NCc1cccs1.
What is the InChIKey of [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
The InChIKey is TYJDFBYRWRQHAM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13(17(22)20-12-15-3-2-10-26-15)25-18(23)14-4-5-16(19-11-14)21-6-8-24-9-7-21/h2-5,10-11,13H,6-9,12H2,1H3,(H,20,22)/t13-/m0/s1.
What are the key properties of [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate?
[(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate has a molecular weight of 375.45 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] 6-morpholin-4-ylpyridine-3-carboxylate is sourced from PubChem (CID 30472348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).