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Sodium Gualenate Impurity 6

CAT: 1299-RM-G211206-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G211206-01Size:10 mg
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CAS Number
111631-17-5
Synonyms
(S) -5-amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Molecular Formula
C5H8N2O2
Molecular Weight
128.13
Target Alternative Name
Sodium Gualenate
Product Name Synonym
(S) -5-amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid

Chemical Information

(S)-5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CAS Number111631-17-5
PubChem CID13894666
IUPAC Name(2S)-5-amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Molecular FormulaC5H8N2O2
Molecular Weight128.13
XLogP-1.1
Topological Polar Surface Area75.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity164
SMILES
C1CC(=N[C@@H]1C(=O)O)N
InChI
InChI=1S/C5H8N2O2/c6-4-2-1-3(7-4)5(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)/t3-/m0/s1
InChIKey
QQZIRAVAHFONDV-VKHMYHEASA-N
Chemical Structure
2D Structure
2D structure of (S)-5-Amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid
CAS: 111631-17-5
CID: 13894666
Formula: C5H8N2O2
MW: 128.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight128.13
XLogP3-1.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass128.058577502
Monoisotopic Mass128.058577502
Topological Polar Surface Area75.7 Ų
Heavy Atom Count9
Formal Charge0
Complexity164
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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