2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid

C7H15NO4S — CID 145290806

IUPAC2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
SMILESCC(CCN(C)S(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-6(7(9)10)4-5-8(2)13(3,11)12/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyGOIVSXKZVZSQGD-UHFFFAOYSA-N
MW209.27 g/mol
LogP-0.01
Rot. Bonds5

About 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid

2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid (PubChem CID 145290806) has the molecular formula C7H15NO4S and a molecular weight of 209.27 g/mol. Its IUPAC name is 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
PubChem CID145290806
Molecular FormulaC7H15NO4S
Molecular Weight209.27 g/mol
Exact Mass209.07
IUPAC Name2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid
SMILESCC(CCN(C)S(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO4S/c1-6(7(9)10)4-5-8(2)13(3,11)12/h6H,4-5H2,1-3H3,(H,9,10)
InChIKeyGOIVSXKZVZSQGD-UHFFFAOYSA-N
XLogP-0.01
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methanesulfonylpiperidine-4-carboxylic acid
CID 774012
1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 21076148
4-[Difluoromethylsulfonyl(methyl)amino]butanoic acid
CID 43151883
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]acetic acid
CID 64617430
2-[1-(Difluoromethylsulfonyl)azetidin-3-yl]propanoic acid
CID 116681780
4-[Methyl(methylsulfonyl)amino]butanoic acid
CID 39239437
4-[Ethylsulfonyl(methyl)amino]butanoic acid
CID 39242294
3-[Methyl(methylsulfonyl)amino]cyclobutane-1-carboxylic acid
CID 69261981
(3S)-1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 94917720
(3R)-1-Methanesulfonylpyrrolidine-3-carboxylic acid
CID 94917721
3-Methyl-4-(sulfonylamino)butanoic acid
CID 151399477
(3R,4R)-4-methyl-1-methylsulfonylpyrrolidine-3-carboxylic acid
CID 170072530

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid (CID 145290806) is 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid is CC(CCN(C)S(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid?
The InChIKey is GOIVSXKZVZSQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4S/c1-6(7(9)10)4-5-8(2)13(3,11)12/h6H,4-5H2,1-3H3,(H,9,10).
What are the key properties of 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid?
2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid has a molecular weight of 209.27 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(methylsulfonyl)amino]butanoic acid is sourced from PubChem (CID 145290806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).