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Cefaclor Impurity 81

CAT: 1299-RM-C031281-04Size: 100 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-C031281-04Size:100 mg
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CAS Number
6453-64-1
Synonyms
(R) - (2-amino-2-phenylacetyl) glycine
Molecular Formula
C10H12N2O3
Molecular Weight
208.22
Target Alternative Name
Cefaclor
Product Name Synonym
(R) - (2-amino-2-phenylacetyl) glycine

Chemical Information

Phenylglycylglycine

utilized by E coli as a source of glycine; RN given refers to (D)-isomer

CAS Number6453-64-1
PubChem CID193424
IUPAC Name2-[[(2R)-2-amino-2-phenylacetyl]amino]acetic acid
Molecular FormulaC10H12N2O3
Molecular Weight208.21
XLogP-2.4
Topological Polar Surface Area92.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity237
SMILES
C1=CC=C(C=C1)[C@H](C(=O)NCC(=O)O)N
InChI
InChI=1S/C10H12N2O3/c11-9(7-4-2-1-3-5-7)10(15)12-6-8(13)14/h1-5,9H,6,11H2,(H,12,15)(H,13,14)/t9-/m1/s1
InChIKey
LJXOMNKURQBXLP-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Phenylglycylglycine
CAS: 6453-64-1
CID: 193424
Formula: C10H12N2O3
MW: 208.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight208.21
XLogP3-2.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass208.08479225
Monoisotopic Mass208.08479225
Topological Polar Surface Area92.4 Ų
Heavy Atom Count15
Formal Charge0
Complexity237
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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