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

C6H13NO4S — CID 60915939

IUPAC2-[methyl(2-methylsulfonylethyl)amino]acetic acid
SMILESCN(CCS(C)(=O)=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-7(5-6(8)9)3-4-12(2,10)11/h3-5H2,1-2H3,(H,8,9)
InChIKeyQAOYJUJCPZIYML-UHFFFAOYSA-N
MW195.24 g/mol
LogP-0.95
Rot. Bonds5

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

2-[methyl(2-methylsulfonylethyl)amino]acetic acid (PubChem CID 60915939) has the molecular formula C6H13NO4S and a molecular weight of 195.24 g/mol. Its IUPAC name is 2-[methyl(2-methylsulfonylethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl(2-methylsulfonylethyl)amino]acetic acid
PubChem CID60915939
Molecular FormulaC6H13NO4S
Molecular Weight195.24 g/mol
Exact Mass195.06
IUPAC Name2-[methyl(2-methylsulfonylethyl)amino]acetic acid
SMILESCN(CCS(C)(=O)=O)CC(=O)O
InChIInChI=1S/C6H13NO4S/c1-7(5-6(8)9)3-4-12(2,10)11/h3-5H2,1-2H3,(H,8,9)
InChIKeyQAOYJUJCPZIYML-UHFFFAOYSA-N
XLogP-0.95
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[methyl(2-methylsulfonylethyl)amino]methanol
CID 174115571
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646
1-[methyl(2-methylsulfonylethyl)amino]-3-phenylpropan-2-one
CID 79850568
ethane;2-[2-hydroxyethyl(methyl)amino]acetic acid
CID 164543067
ethane;2-[methyl(propyl)amino]acetic acid
CID 153373363
2-[methyl(propyl)amino]acetic acid;hydrochloride
CID 50988218
copper;bis(2-[2-hydroxyethyl(methyl)amino]acetic acid)
CID 56841196
2-[carboxymethyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 63645411
1-(4-fluorophenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850839
2-[2-[carboxymethyl(methylamino)amino]ethyl-methylamino]acetic acid
CID 15678371
2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;methylsulfonylmethane
CID 12001108
1-(3,4-dimethylphenyl)-2-[methyl(2-methylsulfonylethyl)amino]ethanone
CID 79850026

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]acetic acid?
The IUPAC name of 2-[methyl(2-methylsulfonylethyl)amino]acetic acid (CID 60915939) is 2-[methyl(2-methylsulfonylethyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl(2-methylsulfonylethyl)amino]acetic acid?
The canonical SMILES for 2-[methyl(2-methylsulfonylethyl)amino]acetic acid is CN(CCS(C)(=O)=O)CC(=O)O.
What is the InChIKey of 2-[methyl(2-methylsulfonylethyl)amino]acetic acid?
The InChIKey is QAOYJUJCPZIYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4S/c1-7(5-6(8)9)3-4-12(2,10)11/h3-5H2,1-2H3,(H,8,9).
What are the key properties of 2-[methyl(2-methylsulfonylethyl)amino]acetic acid?
2-[methyl(2-methylsulfonylethyl)amino]acetic acid has a molecular weight of 195.24 g/mol, XLogP of -0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-methylsulfonylethyl)amino]acetic acid is sourced from PubChem (CID 60915939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).