methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate

C11H20N2O3S — CID 14302366

IUPACmethyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC
InChIInChI=1S/C11H20N2O3S/c1-16-11(15)9-4-3-6-13(9)10(14)8(12)5-7-17-2/h8-9H,3-7,12H2,1-2H3/t8-,9-/m0/s1
InChIKeyWGLFPIITKWAQBX-IUCAKERBSA-N
MW260.36 g/mol
LogP0.23
Rot. Bonds5

About methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate

methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate (PubChem CID 14302366) has the molecular formula C11H20N2O3S and a molecular weight of 260.36 g/mol. Its IUPAC name is methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate
PubChem CID14302366
Molecular FormulaC11H20N2O3S
Molecular Weight260.36 g/mol
Exact Mass260.12
IUPAC Namemethyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC
InChIInChI=1S/C11H20N2O3S/c1-16-11(15)9-4-3-6-13(9)10(14)8(12)5-7-17-2/h8-9H,3-7,12H2,1-2H3/t8-,9-/m0/s1
InChIKeyWGLFPIITKWAQBX-IUCAKERBSA-N
XLogP0.23
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate 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 methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate (CID 14302366) is methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCSC.
What is the InChIKey of methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate?
The InChIKey is WGLFPIITKWAQBX-IUCAKERBSA-N. The full InChI is InChI=1S/C11H20N2O3S/c1-16-11(15)9-4-3-6-13(9)10(14)8(12)5-7-17-2/h8-9H,3-7,12H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate?
methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate has a molecular weight of 260.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-1-[(2S)-2-amino-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 14302366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).