(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid

C8H19N3O4S — CID 89124099

IUPAC(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
SMILESCN(C)CCN(C)S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C8H19N3O4S/c1-10(2)4-5-11(3)16(14,15)6-7(9)8(12)13/h7H,4-6,9H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyJYBMIICFWYKENB-ZETCQYMHSA-N
MW253.32 g/mol
LogP-1.78
Rot. Bonds7

About (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid

(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid (PubChem CID 89124099) has the molecular formula C8H19N3O4S and a molecular weight of 253.32 g/mol. Its IUPAC name is (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
PubChem CID89124099
Molecular FormulaC8H19N3O4S
Molecular Weight253.32 g/mol
Exact Mass253.11
IUPAC Name(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid
SMILESCN(C)CCN(C)S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C8H19N3O4S/c1-10(2)4-5-11(3)16(14,15)6-7(9)8(12)13/h7H,4-6,9H2,1-3H3,(H,12,13)/t7-/m0/s1
InChIKeyJYBMIICFWYKENB-ZETCQYMHSA-N
XLogP-1.78
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 5-1.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid (CID 89124099) is (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid is CN(C)CCN(C)S(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid?
The InChIKey is JYBMIICFWYKENB-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H19N3O4S/c1-10(2)4-5-11(3)16(14,15)6-7(9)8(12)13/h7H,4-6,9H2,1-3H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid?
(2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid has a molecular weight of 253.32 g/mol, XLogP of -1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-[2-(dimethylamino)ethyl-methylsulfamoyl]propanoic acid is sourced from PubChem (CID 89124099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).