(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid

C10H20N2O4S — CID 28784012

IUPAC(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-8(2)9(10(13)14)11-17(15,16)12-6-4-3-5-7-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyJEJAPGSUZBTYQA-SECBINFHSA-N
MW264.35 g/mol
LogP0.42
Rot. Bonds5

About (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid

(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid (PubChem CID 28784012) has the molecular formula C10H20N2O4S and a molecular weight of 264.35 g/mol. Its IUPAC name is (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
PubChem CID28784012
Molecular FormulaC10H20N2O4S
Molecular Weight264.35 g/mol
Exact Mass264.11
IUPAC Name(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid
SMILESCC(C)[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)O
InChIInChI=1S/C10H20N2O4S/c1-8(2)9(10(13)14)11-17(15,16)12-6-4-3-5-7-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1
InChIKeyJEJAPGSUZBTYQA-SECBINFHSA-N
XLogP0.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid (CID 28784012) is (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid is CC(C)[C@@H](NS(=O)(=O)N1CCCCC1)C(=O)O.
What is the InChIKey of (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid?
The InChIKey is JEJAPGSUZBTYQA-SECBINFHSA-N. The full InChI is InChI=1S/C10H20N2O4S/c1-8(2)9(10(13)14)11-17(15,16)12-6-4-3-5-7-12/h8-9,11H,3-7H2,1-2H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid?
(2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid has a molecular weight of 264.35 g/mol, XLogP of 0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(piperidin-1-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 28784012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).