2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid

C8H16N2O6S — CID 3615000

IUPAC2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
SMILESCCN(CC)S(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-9(4-2)17(15,16)10(5-7(11)12)6-8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJRPZIAXIICNYAM-UHFFFAOYSA-N
MW268.29 g/mol
LogP-0.96
Rot. Bonds8

About 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid

2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid (PubChem CID 3615000) has the molecular formula C8H16N2O6S and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
PubChem CID3615000
Molecular FormulaC8H16N2O6S
Molecular Weight268.29 g/mol
Exact Mass268.07
IUPAC Name2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid
SMILESCCN(CC)S(=O)(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C8H16N2O6S/c1-3-9(4-2)17(15,16)10(5-7(11)12)6-8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyJRPZIAXIICNYAM-UHFFFAOYSA-N
XLogP-0.96
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[dipropylsulfamoyl(ethyl)amino]acetic acid
CID 54900712
2-[carboxymethyl(ethylsulfonyl)amino]acetic acid
CID 23524492
2-[ethyl(propylsulfonyl)amino]acetic acid
CID 61011722
2-[carboxymethyl-[methyl(propan-2-yl)sulfamoyl]amino]acetic acid
CID 55245356
2-[(2-amino-2-oxoethyl)-(dimethylsulfamoyl)amino]acetic acid
CID 107435768
2-[diethylsulfamoyl(ethyl)amino]-N'-hydroxyethanimidamide
CID 76928839
2-[[2-(diethylsulfamoyl)acetyl]-propylamino]acetic acid
CID 119205182
2-[octyl(sulfo)amino]acetic acid
CID 88730489
2-[ethyl-[(2-propan-2-yl-1H-imidazol-5-yl)sulfonyl]amino]acetic acid
CID 146090786
2-[carboxymethyl(2-methylsulfonylethylsulfonyl)amino]acetic acid
CID 63645411
3-[ethyl(methylsulfonyl)amino]propanoic acid
CID 39239435
2-[(2,4-dimethylphenyl)sulfonyl-ethylamino]acetic acid
CID 54900564

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid (CID 3615000) is 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid is CCN(CC)S(=O)(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid?
The InChIKey is JRPZIAXIICNYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6S/c1-3-9(4-2)17(15,16)10(5-7(11)12)6-8(13)14/h3-6H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid?
2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid has a molecular weight of 268.29 g/mol, XLogP of -0.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl(diethylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 3615000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).