(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid

C11H23N3O4S — CID 67154831

IUPAC(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid
SMILESCN1CCCC1CCN(C)S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C11H23N3O4S/c1-13-6-3-4-9(13)5-7-14(2)19(17,18)8-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyFJIBHUUAAUZDAB-AXDSSHIGSA-N
MW293.39 g/mol
LogP-0.86
Rot. Bonds7

About (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid

(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid (PubChem CID 67154831) has the molecular formula C11H23N3O4S and a molecular weight of 293.39 g/mol. Its IUPAC name is (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid
PubChem CID67154831
Molecular FormulaC11H23N3O4S
Molecular Weight293.39 g/mol
Exact Mass293.14
IUPAC Name(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid
SMILESCN1CCCC1CCN(C)S(=O)(=O)C[C@H](N)C(=O)O
InChIInChI=1S/C11H23N3O4S/c1-13-6-3-4-9(13)5-7-14(2)19(17,18)8-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t9?,10-/m0/s1
InChIKeyFJIBHUUAAUZDAB-AXDSSHIGSA-N
XLogP-0.86
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 5-0.86
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-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid (CID 67154831) is (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid is CN1CCCC1CCN(C)S(=O)(=O)C[C@H](N)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid?
The InChIKey is FJIBHUUAAUZDAB-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H23N3O4S/c1-13-6-3-4-9(13)5-7-14(2)19(17,18)8-10(12)11(15)16/h9-10H,3-8,12H2,1-2H3,(H,15,16)/t9?,10-/m0/s1.
What are the key properties of (2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid?
(2R)-2-amino-3-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid has a molecular weight of 293.39 g/mol, XLogP of -0.86, 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-[methyl-[2-(1-methylpyrrolidin-2-yl)ethyl]sulfamoyl]propanoic acid is sourced from PubChem (CID 67154831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).