4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid

C11H19NO4S — CID 119251353

IUPAC4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
SMILESCSCC(C)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-8(7-17-2)9(13)12-5-3-11(16,4-6-12)10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15)
InChIKeySEPBIMUVXRNZHS-UHFFFAOYSA-N
MW261.34 g/mol
LogP0.42
Rot. Bonds4

About 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid

4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid (PubChem CID 119251353) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
PubChem CID119251353
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid
SMILESCSCC(C)C(=O)N1CCC(O)(C(=O)O)CC1
InChIInChI=1S/C11H19NO4S/c1-8(7-17-2)9(13)12-5-3-11(16,4-6-12)10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15)
InChIKeySEPBIMUVXRNZHS-UHFFFAOYSA-N
XLogP0.42
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid (CID 119251353) is 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid is CSCC(C)C(=O)N1CCC(O)(C(=O)O)CC1.
What is the InChIKey of 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid?
The InChIKey is SEPBIMUVXRNZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-8(7-17-2)9(13)12-5-3-11(16,4-6-12)10(14)15/h8,16H,3-7H2,1-2H3,(H,14,15).
What are the key properties of 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid?
4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-methyl-3-methylsulfanylpropanoyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 119251353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).