tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate

C10H20N2O5S — CID 59111391

IUPACtert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)17-9(14)12-7(8(11)13)5-6-18(4,15)16/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,14)/t7-/m0/s1
InChIKeyXYAXFSXCWIDYOV-ZETCQYMHSA-N
MW280.35 g/mol
LogP-0.20
Rot. Bonds5

About tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate

tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate (PubChem CID 59111391) has the molecular formula C10H20N2O5S and a molecular weight of 280.35 g/mol. Its IUPAC name is tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
PubChem CID59111391
Molecular FormulaC10H20N2O5S
Molecular Weight280.35 g/mol
Exact Mass280.11
IUPAC Nametert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O
InChIInChI=1S/C10H20N2O5S/c1-10(2,3)17-9(14)12-7(8(11)13)5-6-18(4,15)16/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,14)/t7-/m0/s1
InChIKeyXYAXFSXCWIDYOV-ZETCQYMHSA-N
XLogP-0.20
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

chloromethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonylbutanoate
CID 165439209
tert-butyl N-[(2S)-1,4-diamino-1,4-dioxobutan-2-yl]carbamate
CID 7034344
(3S)-4-amino-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
CID 7018765
4-ethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutane-1-sulfonic acid
CID 23615126
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-sulfobutanoic acid
CID 167726879
tert-butyl N-[1-amino-6-(methylamino)-1-oxohexan-2-yl]carbamate;ethane
CID 145013011
tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfonyloxybutanoate
CID 135393738
tert-butyl N-[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-1-oxoheptan-2-yl]amino]-1-oxohexan-2-yl]carbamate
CID 59033722
methyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-6-methylsulfonylhex-2-enoate
CID 10567784
tert-butyl N-[1-amino-4-[(E)-[amino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]amino]oxy-1-oxobutan-2-yl]carbamate
CID 167996675
tert-butyl N-[(2R)-1-(dimethylamino)-3-methylsulfonyl-1-oxopropan-2-yl]carbamate
CID 89440433
tert-butyl (2S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170558282

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate (CID 59111391) is tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCS(C)(=O)=O)C(N)=O.
What is the InChIKey of tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate?
The InChIKey is XYAXFSXCWIDYOV-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H20N2O5S/c1-10(2,3)17-9(14)12-7(8(11)13)5-6-18(4,15)16/h7H,5-6H2,1-4H3,(H2,11,13)(H,12,14)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate?
tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate has a molecular weight of 280.35 g/mol, XLogP of -0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-1-amino-4-methylsulfonyl-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 59111391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).