[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate

C19H25N3O6S — CID 8734942

IUPAC[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
SMILESCSCC[C@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C19H25N3O6S/c1-13(17(24)22-10-9-20-19(22)26)28-18(25)15(8-11-29-2)21-16(23)12-27-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,26)(H,21,23)/t13-,15+/m1/s1
InChIKeyIQOWOSOSTXNGRI-HIFRSBDPSA-N
MW423.49 g/mol
LogP0.79
Rot. Bonds10

About [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate

[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate (PubChem CID 8734942) has the molecular formula C19H25N3O6S and a molecular weight of 423.49 g/mol. Its IUPAC name is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
PubChem CID8734942
Molecular FormulaC19H25N3O6S
Molecular Weight423.49 g/mol
Exact Mass423.15
IUPAC Name[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
SMILESCSCC[C@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O
InChIInChI=1S/C19H25N3O6S/c1-13(17(24)22-10-9-20-19(22)26)28-18(25)15(8-11-29-2)21-16(23)12-27-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,26)(H,21,23)/t13-,15+/m1/s1
InChIKeyIQOWOSOSTXNGRI-HIFRSBDPSA-N
XLogP0.79
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate with MolForge

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Launch Full Analysis

Related Compounds

N-(4-methylsulfanyl-1-oxo-1-piperidin-1-ylbutan-2-yl)-2-phenoxyacetamide
CID 24820045
N-[1-[3-(1-aminoethyl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide;hydrochloride
CID 119595934
(3,3-dimethyl-2-oxobutyl) (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 7909523
1-[4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoyl]pyrrolidine-3-carboxylic acid
CID 119355151
(4-acetylphenyl) (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 8763742
[2-(4-fluorophenyl)-2-oxoethyl] (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 7570423
N-[(2R)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 25342791
N-[(2R)-1-[4-(2-chlorophenyl)piperazin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]-2-phenoxyacetamide
CID 25343255
(4-chlorophenyl)methyl (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 7570415
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 2-(phenoxymethyl)benzoate
CID 18091914
(4-methylsulfanylphenyl)methyl (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 7570446
[2-(ethoxycarbonylamino)-2-oxoethyl] (2R)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate
CID 40674043

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate?
The IUPAC name of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate (CID 8734942) is [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate.
What is the SMILES notation for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate?
The canonical SMILES for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate is CSCC[C@H](NC(=O)COc1ccccc1)C(=O)O[C@H](C)C(=O)N1CCNC1=O.
What is the InChIKey of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate?
The InChIKey is IQOWOSOSTXNGRI-HIFRSBDPSA-N. The full InChI is InChI=1S/C19H25N3O6S/c1-13(17(24)22-10-9-20-19(22)26)28-18(25)15(8-11-29-2)21-16(23)12-27-14-6-4-3-5-7-14/h3-7,13,15H,8-12H2,1-2H3,(H,20,26)(H,21,23)/t13-,15+/m1/s1.
What are the key properties of [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate?
[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate has a molecular weight of 423.49 g/mol, XLogP of 0.79, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] (2S)-4-methylsulfanyl-2-[(2-phenoxyacetyl)amino]butanoate is sourced from PubChem (CID 8734942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).