2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid

C6H12N2O5S — CID 20806668

IUPAC2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid
SMILESCNC(=O)CN(CC(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H12N2O5S/c1-7-5(9)3-8(4-6(10)11)14(2,12)13/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKeyGYEHADXEUFDXQF-UHFFFAOYSA-N
MW224.24 g/mol
LogP-1.92
Rot. Bonds5

About 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid

2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid (PubChem CID 20806668) has the molecular formula C6H12N2O5S and a molecular weight of 224.24 g/mol. Its IUPAC name is 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid
PubChem CID20806668
Molecular FormulaC6H12N2O5S
Molecular Weight224.24 g/mol
Exact Mass224.05
IUPAC Name2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid
SMILESCNC(=O)CN(CC(=O)O)S(C)(=O)=O
InChIInChI=1S/C6H12N2O5S/c1-7-5(9)3-8(4-6(10)11)14(2,12)13/h3-4H2,1-2H3,(H,7,9)(H,10,11)
InChIKeyGYEHADXEUFDXQF-UHFFFAOYSA-N
XLogP-1.92
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-Methanesulfonylamino-2-oxo-ethyl)-oxalamic acid
CID 14991440
Mercapto-acetyl-glycinyl-glycine
CID 129850333
2-[[2-(Difluoromethylsulfonylamino)acetyl]amino]acetic acid
CID 43465618
2-[[2-(Trifluoromethylsulfonylamino)acetyl]amino]acetic acid
CID 43465623
2-[(2-Amino-2-oxoethyl)-(difluoromethylsulfonyl)amino]acetic acid
CID 107435601
2-[[2-[[2-(Acetylsulfanylamino)acetyl]amino]acetyl]amino]acetic acid
CID 15333909
2-[2-(Methanesulfonamido)ethylamino]acetic acid
CID 43545974
2-[Acetylsulfanyl-[2-[(2-aminoacetyl)amino]acetyl]amino]acetic acid
CID 54123769
2-[2-Aminoethyl(methanesulfonamido)amino]acetic acid
CID 87391871
2-(1-Aminoethylamino)acetic acid;methanesulfonamide
CID 87392387
2-(2-Aminoethylamino)acetic acid;methanesulfonamide
CID 87392389
2-[[2-(Pentylsulfonylamino)acetyl]amino]acetic acid
CID 88055904

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid?
The IUPAC name of 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid (CID 20806668) is 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid.
What is the SMILES notation for 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid?
The canonical SMILES for 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid is CNC(=O)CN(CC(=O)O)S(C)(=O)=O.
What is the InChIKey of 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid?
The InChIKey is GYEHADXEUFDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O5S/c1-7-5(9)3-8(4-6(10)11)14(2,12)13/h3-4H2,1-2H3,(H,7,9)(H,10,11).
What are the key properties of 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid?
2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid has a molecular weight of 224.24 g/mol, XLogP of -1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(methylamino)-2-oxoethyl]-methylsulfonylamino]acetic acid is sourced from PubChem (CID 20806668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).