3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid

C10H21NO4S — CID 63856585

IUPAC3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
SMILESCC(C)CCS(=O)(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H21NO4S/c1-7(2)5-6-16(14,15)11-9(8(3)4)10(12)13/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyQOZADISIMYQIAZ-UHFFFAOYSA-N
MW251.35 g/mol
LogP1.06
Rot. Bonds7

About 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid

3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid (PubChem CID 63856585) has the molecular formula C10H21NO4S and a molecular weight of 251.35 g/mol. Its IUPAC name is 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
PubChem CID63856585
Molecular FormulaC10H21NO4S
Molecular Weight251.35 g/mol
Exact Mass251.12
IUPAC Name3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid
SMILESCC(C)CCS(=O)(=O)NC(C(=O)O)C(C)C
InChIInChI=1S/C10H21NO4S/c1-7(2)5-6-16(14,15)11-9(8(3)4)10(12)13/h7-9,11H,5-6H2,1-4H3,(H,12,13)
InChIKeyQOZADISIMYQIAZ-UHFFFAOYSA-N
XLogP1.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methoxybutylsulfonylamino)-3-methylbutanoic acid
CID 122067962
2-(2-ethoxyethylsulfonylamino)-3-methylbutanoic acid
CID 63245503
(2R)-2-(cyanomethylsulfonylamino)-3-methylbutanoic acid
CID 79013654
N-butan-2-yl-3-methylbutane-1-sulfonamide
CID 63373512
3-methyl-2-[2-(oxan-4-yl)ethylsulfonylamino]butanoic acid
CID 122067763
3-methyl-2-[2-(propylsulfonylamino)propanoylamino]butanoic acid
CID 43354101
(2S,3R)-3-hydroxy-2-(2-methylsulfonylethylsulfonylamino)butanoic acid
CID 104935336
3-methyl-2-(2-phenylmethoxyethylsulfonylamino)butanoic acid
CID 122067769
ethyl 2-(3-methylbutylsulfonylamino)propanoate
CID 55259465
3-methyl-2-[[4-(2-methylpropyl)phenyl]sulfonylamino]butanoic acid
CID 43169463
(2S)-3-methyl-2-[2-(4-methyl-1,3-thiazol-5-yl)ethylsulfonylamino]butanoic acid
CID 122069093
2-(ethylsulfonylamino)-3-hydroxybutanoic acid
CID 16776843

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid?
The IUPAC name of 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid (CID 63856585) is 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid.
What is the SMILES notation for 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid?
The canonical SMILES for 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid is CC(C)CCS(=O)(=O)NC(C(=O)O)C(C)C.
What is the InChIKey of 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid?
The InChIKey is QOZADISIMYQIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4S/c1-7(2)5-6-16(14,15)11-9(8(3)4)10(12)13/h7-9,11H,5-6H2,1-4H3,(H,12,13).
What are the key properties of 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid?
3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid has a molecular weight of 251.35 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(3-methylbutylsulfonylamino)butanoic acid is sourced from PubChem (CID 63856585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).