2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid

C8H19N3O5S — CID 89124246

IUPAC2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid
SMILESCNS(=O)(=O)N(CCOC)CCC(N)C(=O)O
InChIInChI=1S/C8H19N3O5S/c1-10-17(14,15)11(5-6-16-2)4-3-7(9)8(12)13/h7,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyCNJDRKWLZYXSPY-UHFFFAOYSA-N
MW269.32 g/mol
LogP-1.80
Rot. Bonds9

About 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid

2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid (PubChem CID 89124246) has the molecular formula C8H19N3O5S and a molecular weight of 269.32 g/mol. Its IUPAC name is 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid
PubChem CID89124246
Molecular FormulaC8H19N3O5S
Molecular Weight269.32 g/mol
Exact Mass269.10
IUPAC Name2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid
SMILESCNS(=O)(=O)N(CCOC)CCC(N)C(=O)O
InChIInChI=1S/C8H19N3O5S/c1-10-17(14,15)11(5-6-16-2)4-3-7(9)8(12)13/h7,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyCNJDRKWLZYXSPY-UHFFFAOYSA-N
XLogP-1.80
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-Amino-4-[2-(dimethylamino)ethoxy]-4-oxobutyl]amino]acetic acid
CID 54382506
Methyl 2-amino-4-[(3-amino-4-methoxy-4-oxobutyl)-(4-hydroxybutyl)amino]butanoate
CID 59716022
4-[(1-Ethoxy-1-oxopropan-2-yl)amino]butanoic acid
CID 61498725
2-Amino-4-[ethyl(2-methoxyethyl)amino]butanoic acid
CID 63054993
(2S)-2-amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
CID 67154218
2-Amino-4-(morpholin-4-ylsulfonylamino)butanoic acid
CID 67154221
(2S)-2-amino-4-(1,4-oxazepan-4-ylsulfonylamino)butanoic acid
CID 67154361
2-Amino-4-(1,4-oxazepan-4-ylsulfonylamino)butanoic acid
CID 67154362
(2S)-2-amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154518
2-Amino-4-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 67154519
2-Amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
CID 67154819
(2S)-2-amino-4-[oxan-4-yl(sulfamoyl)amino]butanoic acid
CID 67154821

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid (CID 89124246) is 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid is CNS(=O)(=O)N(CCOC)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid?
The InChIKey is CNJDRKWLZYXSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3O5S/c1-10-17(14,15)11(5-6-16-2)4-3-7(9)8(12)13/h7,10H,3-6,9H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid?
2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid has a molecular weight of 269.32 g/mol, XLogP of -1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2-methoxyethyl(methylsulfamoyl)amino]butanoic acid is sourced from PubChem (CID 89124246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).