2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide

C10H22N2O4S — CID 65106179

IUPAC2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
SMILESCCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-10(2,14)7-12-9(13)8(11)5-6-17(3,15)16/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyZILHRCAASXBPSL-UHFFFAOYSA-N
MW266.36 g/mol
LogP-0.97
Rot. Bonds7

About 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide

2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide (PubChem CID 65106179) has the molecular formula C10H22N2O4S and a molecular weight of 266.36 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
PubChem CID65106179
Molecular FormulaC10H22N2O4S
Molecular Weight266.36 g/mol
Exact Mass266.13
IUPAC Name2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide
SMILESCCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O
InChIInChI=1S/C10H22N2O4S/c1-4-10(2,14)7-12-9(13)8(11)5-6-17(3,15)16/h8,14H,4-7,11H2,1-3H3,(H,12,13)
InChIKeyZILHRCAASXBPSL-UHFFFAOYSA-N
XLogP-0.97
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 5-0.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

Val-Met(O)
CID 91746311
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]propane-1-sulfonic acid
CID 25008460
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]propane-1-sulfonic acid
CID 25008466
(2S)-2-amino-N-(2-methylpropyl)-4-methylsulfonylbutanamide
CID 28193148
2-amino-N-(2-hydroxyethyl)-4-methylsulfonylbutanamide
CID 43363347
(2S)-2-amino-3-methyl-N-(3-methylsulfonylpropyl)butanamide
CID 61163657
(2R)-2-amino-3-methyl-N-(3-methylsulfonylpropyl)butanamide
CID 79013592
4-Methylsulfonyl-2-(propanoylamino)butanamide
CID 90981602
2-(3-Hydroxy-3-methyl-2-oxopyrrolidin-1-yl)-4-methylsulfonylbutanamide
CID 141947923
2-[[2-[(2-Acetamido-4-methylsulfinylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 153633168
2-[[2-[(2-Acetamido-4-methylsulfonylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 153633170
2-[[2-[(2-Amino-4-methylsulfonylbutanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 153633171

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide (CID 65106179) is 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide is CCC(C)(O)CNC(=O)C(N)CCS(C)(=O)=O.
What is the InChIKey of 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
The InChIKey is ZILHRCAASXBPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O4S/c1-4-10(2,14)7-12-9(13)8(11)5-6-17(3,15)16/h8,14H,4-7,11H2,1-3H3,(H,12,13).
What are the key properties of 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide has a molecular weight of 266.36 g/mol, XLogP of -0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-2-methylbutyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 65106179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).