tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate

C15H31NO4S — CID 103773483

IUPACtert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
SMILESCC(C)[C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO4S/c1-11(2)12(13(17)20-15(6,7)8)16-21(18,19)10-9-14(3,4)5/h11-12,16H,9-10H2,1-8H3/t12-/m1/s1
InChIKeyRIHRAEVGDQZJKC-GFCCVEGCSA-N
MW321.48 g/mol
LogP2.71
Rot. Bonds6

About tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate

tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate (PubChem CID 103773483) has the molecular formula C15H31NO4S and a molecular weight of 321.48 g/mol. Its IUPAC name is tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
PubChem CID103773483
Molecular FormulaC15H31NO4S
Molecular Weight321.48 g/mol
Exact Mass321.20
IUPAC Nametert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate
SMILESCC(C)[C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)OC(C)(C)C
InChIInChI=1S/C15H31NO4S/c1-11(2)12(13(17)20-15(6,7)8)16-21(18,19)10-9-14(3,4)5/h11-12,16H,9-10H2,1-8H3/t12-/m1/s1
InChIKeyRIHRAEVGDQZJKC-GFCCVEGCSA-N
XLogP2.71
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.48
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-2-(butylsulfonylamino)-3-methylbutanoate
CID 81002609
2-(3,3-dimethylbutylsulfonylamino)-3-hydroxybutanoic acid
CID 104932555
ditert-butyl (2S,3R)-2,3-bis(methanesulfonamido)butanedioate
CID 102512584
tert-butyl (2S)-3-methyl-2-(methylamino)butanoate;hydrochloride
CID 131886716
tert-butyl (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate
CID 81003022
N-(1-hydroxy-4-methylpentan-3-yl)-3,3-dimethylbutane-1-sulfonamide
CID 111466258
tert-butyl (2R)-2-[(4-aminophenyl)sulfonylamino]-3-methylbutanoate
CID 10496531
tert-butyl (2S)-2-[[2-(aminomethyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 59461671
tert-butyl 2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 54389295
tert-butyl (2R)-3-amino-2-(propylsulfonylamino)propanoate
CID 59913383
tert-butyl (2S)-2-[(3-methoxy-3-oxopropyl)amino]-3-methylbutanoate
CID 21309732
tert-butyl (2S)-2-[[4-(4-aminophenyl)phenyl]sulfonylamino]-3-methylbutanoate
CID 10525284

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate?
The IUPAC name of tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate (CID 103773483) is tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate.
What is the SMILES notation for tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate?
The canonical SMILES for tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate is CC(C)[C@@H](NS(=O)(=O)CCC(C)(C)C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate?
The InChIKey is RIHRAEVGDQZJKC-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H31NO4S/c1-11(2)12(13(17)20-15(6,7)8)16-21(18,19)10-9-14(3,4)5/h11-12,16H,9-10H2,1-8H3/t12-/m1/s1.
What are the key properties of tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate?
tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate has a molecular weight of 321.48 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-(3,3-dimethylbutylsulfonylamino)-3-methylbutanoate is sourced from PubChem (CID 103773483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).