tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate

C13H27NO4S — CID 81002609

IUPACtert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
SMILESCCCCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO4S/c1-7-8-9-19(16,17)14-11(10(2)3)12(15)18-13(4,5)6/h10-11,14H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyJOHMUVBWOYLLRL-LLVKDONJSA-N
MW293.43 g/mol
LogP2.07
Rot. Bonds7

About tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate

tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate (PubChem CID 81002609) has the molecular formula C13H27NO4S and a molecular weight of 293.43 g/mol. Its IUPAC name is tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
PubChem CID81002609
Molecular FormulaC13H27NO4S
Molecular Weight293.43 g/mol
Exact Mass293.17
IUPAC Nametert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
SMILESCCCCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C13H27NO4S/c1-7-8-9-19(16,17)14-11(10(2)3)12(15)18-13(4,5)6/h10-11,14H,7-9H2,1-6H3/t11-/m1/s1
InChIKeyJOHMUVBWOYLLRL-LLVKDONJSA-N
XLogP2.07
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
CID 103773483
(2S)-2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18654134
2-(butylsulfonylamino)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 10520024
tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate
CID 59913383
tert-butyl (2R)-2-(butanoylamino)-3-methylbutanoate
CID 81003946
methyl 4-amino-2-(butylsulfonylamino)-4-oxobutanoate
CID 57264871
methyl 3-amino-2-(butylsulfonylamino)propanoate
CID 19066399
methyl (2R)-2-(butylsulfonylamino)-3-hydroxypropanoate
CID 93038199
methyl (2S)-3-amino-2-(butylsulfonylamino)propanoate
CID 10752421
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
ditert-butyl (2S,3R)-2,3-bis(methanesulfonamido)butanedioate
CID 102512584
(2R)-2-(butylsulfonylamino)propanoate
CID 2447741

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate (CID 81002609) is tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate is CCCCS(=O)(=O)N[C@@H](C(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate?
The InChIKey is JOHMUVBWOYLLRL-LLVKDONJSA-N. The full InChI is InChI=1S/C13H27NO4S/c1-7-8-9-19(16,17)14-11(10(2)3)12(15)18-13(4,5)6/h10-11,14H,7-9H2,1-6H3/t11-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate?
tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate has a molecular weight of 293.43 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate is sourced from PubChem (CID 81002609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).