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Pidotimod Impurity 38

CAT: 1596-AR-P31603-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P31603-02Size:25 Units
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CAS Number
21282-16-6
Synonyms
((S) -5-oxopyrrolidine-2-carbonyl) -D-alanine
Molecular Formula
C8H12N2O4
Molecular Weight
200.19
API Name
Pidotimod

Chemical Information

(2R)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoic acid
CAS Number21282-16-6
PubChem CID40520285
IUPAC Name(2R)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]propanoic acid
Molecular FormulaC8H12N2O4
Molecular Weight200.19
XLogP-1
Topological Polar Surface Area95.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity277
SMILES
C[C@H](C(=O)O)NC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C8H12N2O4/c1-4(8(13)14)9-7(12)5-2-3-6(11)10-5/h4-5H,2-3H2,1H3,(H,9,12)(H,10,11)(H,13,14)/t4-,5+/m1/s1
InChIKey
YIJVJUARZXCJJP-UHNVWZDZSA-N
Chemical Structure
2D Structure
2D structure of (2R)-2-{[(2S)-5-oxopyrrolidin-2-yl]formamido}propanoic acid
CAS: 21282-16-6
CID: 40520285
Formula: C8H12N2O4
MW: 200.19
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight200.19
XLogP3-1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass200.07970687
Monoisotopic Mass200.07970687
Topological Polar Surface Area95.5 Ų
Heavy Atom Count14
Formal Charge0
Complexity277
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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