2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid

C10H21N3O4S — CID 70945376

IUPAC2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid
SMILESNC(CCS(=O)(=O)NCCN1CCCC1)C(=O)O
InChIInChI=1S/C10H21N3O4S/c11-9(10(14)15)3-8-18(16,17)12-4-7-13-5-1-2-6-13/h9,12H,1-8,11H2,(H,14,15)
InChIKeyHSGSQUJYQLUXSL-UHFFFAOYSA-N
MW279.36 g/mol
LogP-1.20
Rot. Bonds8

About 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid

2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid (PubChem CID 70945376) has the molecular formula C10H21N3O4S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid
PubChem CID70945376
Molecular FormulaC10H21N3O4S
Molecular Weight279.36 g/mol
Exact Mass279.13
IUPAC Name2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid
SMILESNC(CCS(=O)(=O)NCCN1CCCC1)C(=O)O
InChIInChI=1S/C10H21N3O4S/c11-9(10(14)15)3-8-18(16,17)12-4-7-13-5-1-2-6-13/h9,12H,1-8,11H2,(H,14,15)
InChIKeyHSGSQUJYQLUXSL-UHFFFAOYSA-N
XLogP-1.20
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid?
The IUPAC name of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid (CID 70945376) is 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid.
What is the SMILES notation for 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid?
The canonical SMILES for 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid is NC(CCS(=O)(=O)NCCN1CCCC1)C(=O)O.
What is the InChIKey of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid?
The InChIKey is HSGSQUJYQLUXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O4S/c11-9(10(14)15)3-8-18(16,17)12-4-7-13-5-1-2-6-13/h9,12H,1-8,11H2,(H,14,15).
What are the key properties of 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid?
2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid has a molecular weight of 279.36 g/mol, XLogP of -1.20, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-pyrrolidin-1-ylethylsulfamoyl)butanoic acid is sourced from PubChem (CID 70945376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).