benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

C17H26N2O6S — CID 168920072

IUPACbenzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)N(C)C
InChIInChI=1S/C17H26N2O6S/c1-13(15(20)24-12-14-10-8-7-9-11-14)19(26(22,23)18(5)6)16(21)25-17(2,3)4/h7-11,13H,12H2,1-6H3/t13-/m1/s1
InChIKeyAFPJYBPAZMMPQW-CYBMUJFWSA-N
MW386.47 g/mol
LogP2.16
Rot. Bonds6

About benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate

benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (PubChem CID 168920072) has the molecular formula C17H26N2O6S and a molecular weight of 386.47 g/mol. Its IUPAC name is benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
PubChem CID168920072
Molecular FormulaC17H26N2O6S
Molecular Weight386.47 g/mol
Exact Mass386.15
IUPAC Namebenzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
SMILESC[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)N(C)C
InChIInChI=1S/C17H26N2O6S/c1-13(15(20)24-12-14-10-8-7-9-11-14)19(26(22,23)18(5)6)16(21)25-17(2,3)4/h7-11,13H,12H2,1-6H3/t13-/m1/s1
InChIKeyAFPJYBPAZMMPQW-CYBMUJFWSA-N
XLogP2.16
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl (2R)-2-[chlorosulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 168920145
(1-oxo-1-phenylmethoxypropan-2-yl) (2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 122703485
benzyl (2S)-3-methyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate
CID 122715456
benzyl (2S)-2-[ethyl-[1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]propanoate
CID 67291803
benzyl 4-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyloxy]butanoate
CID 160546469
benzyl 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 22623801
ethyl 2-[methyl(phenylmethoxycarbonyl)amino]propanoate
CID 59729658
benzyl N-(3,3-dimethylbutan-2-yl)-N-methylcarbamate
CID 130159197
benzyl (2R)-2-[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]oxyheptanoate
CID 15606069
methyl (2S)-2-[[[(2R)-1-ethoxy-1-oxopropan-2-yl]-[(2-methylpropan-2-yl)oxycarbonyl]sulfamoyl]amino]-3-phenylpropanoate
CID 10837578
(4R)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-oxo-5-phenylmethoxypentanoic acid
CID 141142502
benzyl N-methyl-N-[1-(methylamino)-1-oxopropan-2-yl]carbamate
CID 75492678

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The IUPAC name of benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate (CID 168920072) is benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate.
What is the SMILES notation for benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The canonical SMILES for benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is C[C@H](C(=O)OCc1ccccc1)N(C(=O)OC(C)(C)C)S(=O)(=O)N(C)C.
What is the InChIKey of benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
The InChIKey is AFPJYBPAZMMPQW-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H26N2O6S/c1-13(15(20)24-12-14-10-8-7-9-11-14)19(26(22,23)18(5)6)16(21)25-17(2,3)4/h7-11,13H,12H2,1-6H3/t13-/m1/s1.
What are the key properties of benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate?
benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate has a molecular weight of 386.47 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[dimethylsulfamoyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate is sourced from PubChem (CID 168920072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).