2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid

C10H20N2O4S — CID 70945484

IUPAC2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
SMILESCC1(C)CCCN1S(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-10(2)5-3-6-12(10)17(15,16)7-4-8(11)9(13)14/h8H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyNIEJPTLIMIXTQB-UHFFFAOYSA-N
MW264.35 g/mol
LogP-0.01
Rot. Bonds5

About 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid

2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid (PubChem CID 70945484) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid.

Molecular Properties

Compound Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
PubChem CID70945484
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid
SMILESCC1(C)CCCN1S(=O)(=O)CCC(N)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-10(2)5-3-6-12(10)17(15,16)7-4-8(11)9(13)14/h8H,3-7,11H2,1-2H3,(H,13,14)
InChIKeyNIEJPTLIMIXTQB-UHFFFAOYSA-N
XLogP-0.01
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid?
The IUPAC name of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid (CID 70945484) is 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid.
What is the SMILES notation for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid?
The canonical SMILES for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid is CC1(C)CCCN1S(=O)(=O)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid?
The InChIKey is NIEJPTLIMIXTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-10(2)5-3-6-12(10)17(15,16)7-4-8(11)9(13)14/h8H,3-7,11H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid?
2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid has a molecular weight of 264.35 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,2-dimethylpyrrolidin-1-yl)sulfonylbutanoic acid is sourced from PubChem (CID 70945484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).