[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

C19H24N2O4S — CID 8814913

IUPAC[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCC[C@H](NC(=O)[C@@H](C)OC(=O)Cn1c(C)csc1=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-4-8-16(15-9-6-5-7-10-15)20-18(23)14(3)25-17(22)11-21-13(2)12-26-19(21)24/h5-7,9-10,12,14,16H,4,8,11H2,1-3H3,(H,20,23)/t14-,16+/m1/s1
InChIKeySSPYAMCOHAPLSU-ZBFHGGJFSA-N
MW376.48 g/mol
LogP2.81
Rot. Bonds8

About [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate

[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (PubChem CID 8814913) has the molecular formula C19H24N2O4S and a molecular weight of 376.48 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
PubChem CID8814913
Molecular FormulaC19H24N2O4S
Molecular Weight376.48 g/mol
Exact Mass376.15
IUPAC Name[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
SMILESCCC[C@H](NC(=O)[C@@H](C)OC(=O)Cn1c(C)csc1=O)c1ccccc1
InChIInChI=1S/C19H24N2O4S/c1-4-8-16(15-9-6-5-7-10-15)20-18(23)14(3)25-17(22)11-21-13(2)12-26-19(21)24/h5-7,9-10,12,14,16H,4,8,11H2,1-3H3,(H,20,23)/t14-,16+/m1/s1
InChIKeySSPYAMCOHAPLSU-ZBFHGGJFSA-N
XLogP2.81
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305920
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 47007927
[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783747
[(2R)-1-(4-bromoanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 30258304
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8783762
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 8813052
[(2R)-1-(3-bromoanilino)-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9305686
[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 3-(3,6-dioxo-1H-pyridazin-2-yl)propanoate
CID 9487417
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] 2-(2-thiophen-3-yl-1,3-thiazol-4-yl)acetate
CID 55406446
[1-oxo-1-(1-phenylbutylamino)propan-2-yl] (E)-3-phenylprop-2-enoate
CID 46810097
[(2S)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate
CID 9306043
[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] (E)-3-thiophen-3-ylprop-2-enoate
CID 8568838

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The IUPAC name of [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate (CID 8814913) is [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The canonical SMILES for [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is CCC[C@H](NC(=O)[C@@H](C)OC(=O)Cn1c(C)csc1=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
The InChIKey is SSPYAMCOHAPLSU-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H24N2O4S/c1-4-8-16(15-9-6-5-7-10-15)20-18(23)14(3)25-17(22)11-21-13(2)12-26-19(21)24/h5-7,9-10,12,14,16H,4,8,11H2,1-3H3,(H,20,23)/t14-,16+/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate?
[(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate has a molecular weight of 376.48 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(1S)-1-phenylbutyl]amino]propan-2-yl] 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetate is sourced from PubChem (CID 8814913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).