2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid

C8H17N3O5S — CID 107435717

IUPAC2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid
SMILESCCN(CC)S(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H17N3O5S/c1-3-10(4-2)17(15,16)11(5-7(9)12)6-8(13)14/h3-6H2,1-2H3,(H2,9,12)(H,13,14)
InChIKeyXFASRJAKQTXJSL-UHFFFAOYSA-N
MW267.31 g/mol
LogP-1.56
Rot. Bonds8

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

2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid (PubChem CID 107435717) has the molecular formula C8H17N3O5S and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid
PubChem CID107435717
Molecular FormulaC8H17N3O5S
Molecular Weight267.31 g/mol
Exact Mass267.09
IUPAC Name2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid
SMILESCCN(CC)S(=O)(=O)N(CC(N)=O)CC(=O)O
InChIInChI=1S/C8H17N3O5S/c1-3-10(4-2)17(15,16)11(5-7(9)12)6-8(13)14/h3-6H2,1-2H3,(H2,9,12)(H,13,14)
InChIKeyXFASRJAKQTXJSL-UHFFFAOYSA-N
XLogP-1.56
TPSA121.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid (CID 107435717) is 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid is CCN(CC)S(=O)(=O)N(CC(N)=O)CC(=O)O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid?
The InChIKey is XFASRJAKQTXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O5S/c1-3-10(4-2)17(15,16)11(5-7(9)12)6-8(13)14/h3-6H2,1-2H3,(H2,9,12)(H,13,14).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid has a molecular weight of 267.31 g/mol, XLogP of -1.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(diethylsulfamoyl)amino]acetic acid is sourced from PubChem (CID 107435717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).