2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid

C11H23NO4S — CID 79858388

IUPAC2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
SMILESCCCC(C)(CN(C)CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-5-6-11(2,10(13)14)9-12(3)7-8-17(4,15)16/h5-9H2,1-4H3,(H,13,14)
InChIKeyQFFMGCNHPRVTLS-UHFFFAOYSA-N
MW265.37 g/mol
LogP0.85
Rot. Bonds8

About 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid

2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid (PubChem CID 79858388) has the molecular formula C11H23NO4S and a molecular weight of 265.37 g/mol. Its IUPAC name is 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
PubChem CID79858388
Molecular FormulaC11H23NO4S
Molecular Weight265.37 g/mol
Exact Mass265.13
IUPAC Name2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
SMILESCCCC(C)(CN(C)CCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C11H23NO4S/c1-5-6-11(2,10(13)14)9-12(3)7-8-17(4,15)16/h5-9H2,1-4H3,(H,13,14)
InChIKeyQFFMGCNHPRVTLS-UHFFFAOYSA-N
XLogP0.85
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.37
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-2-methyl-4-methylsulfonylbutanoic acid
CID 62740267
2-ethyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]butan-1-ol
CID 79859400
2-amino-2-methyl-3-[methyl(2-methylsulfonylethyl)amino]propan-1-ol
CID 79858152
2-[methyl(2-methylsulfonylethyl)amino]acetic acid
CID 60915939
2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
CID 62270300
2-methyl-2-[[methyl(4-methylpentan-2-yl)amino]methyl]pentanoic acid
CID 55055416
2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
CID 82952538
N,N',2,2-tetramethyl-N'-(2-methylsulfonylethyl)propane-1,3-diamine
CID 79858669
[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
2-[[furan-2-ylmethyl(methyl)amino]methyl]-2-methylpentanoic acid
CID 55056222
2-(ethylamino)-2-methyl-4-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 79859382
2-[[ethyl(methyl)amino]methyl]-2-methylbutanoic acid
CID 62272487

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid?
The IUPAC name of 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid (CID 79858388) is 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid?
The canonical SMILES for 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid is CCCC(C)(CN(C)CCS(C)(=O)=O)C(=O)O.
What is the InChIKey of 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid?
The InChIKey is QFFMGCNHPRVTLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4S/c1-5-6-11(2,10(13)14)9-12(3)7-8-17(4,15)16/h5-9H2,1-4H3,(H,13,14).
What are the key properties of 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid?
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid has a molecular weight of 265.37 g/mol, XLogP of 0.85, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid is sourced from PubChem (CID 79858388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).