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Pidotimod Impurity 19

CAT: 1299-RM-P136045-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-P136045-03Size:50 mg
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CAS Number
70605-67-3
Synonyms
(R) -3-mercapto-2- ((S) -5-oxopyrrolidine-2-carboxamido) propanoic acid; ((S) -5-oxopyrrolidine-2-carbonyl) -L-cysteine
Molecular Formula
C8H12N2O4S
Molecular Weight
232.26
Target Alternative Name
Pidotimod
Product Name Synonym
(R) -3-mercapto-2- ((S) -5-oxopyrrolidine-2-carboxamido) propanoic acid; ((S) -5-oxopyrrolidine-2-carbonyl) -L-cysteine

Chemical Information

((S)-Oxopyrrolidine-2-carbonyl)-L-cysteine
CAS Number70605-67-3
PubChem CID169445176
IUPAC Name(2R)-2-[[(2S)-3-oxopyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoic acid
Molecular FormulaC8H12N2O4S
Molecular Weight232.26
XLogP-2.9
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity294
SMILES
C1CN[C@@H](C1=O)C(=O)N[C@@H](CS)C(=O)O
InChI
InChI=1S/C8H12N2O4S/c11-5-1-2-9-6(5)7(12)10-4(3-15)8(13)14/h4,6,9,15H,1-3H2,(H,10,12)(H,13,14)/t4-,6-/m0/s1
InChIKey
PVNAIPPDNKDJLU-NJGYIYPDSA-N
Chemical Structure
2D Structure
2D structure of ((S)-Oxopyrrolidine-2-carbonyl)-L-cysteine
CAS: 70605-67-3
CID: 169445176
Formula: C8H12N2O4S
MW: 232.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight232.26
XLogP3-2.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass232.05177804
Monoisotopic Mass232.05177804
Topological Polar Surface Area96.5 Ų
Heavy Atom Count15
Formal Charge0
Complexity294
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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