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Casrn : 204395-55-1

MolName : (2S)-4-Methoxy-4-oxo-2-(2-phenylacetamido)butanoate

MolecularFormula : C13H14NO5

Smiles : COC(C[C@@H](C([O-])=O)NC(Cc1ccccc1)=O)=O

InChI : InChI=1S/C13H15NO5/c1-19-12(16)8-10(13(17)18)14-11(15)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,15)(H,17,18)/p-1/t10-/m0/s1

InChIK : PZCMPHLHHMZLKD-JTQLQIEISA-M

CanonicalSyTyLFy : cbb1c957c239201f

TotalMolweight : 264.256

Molweight : 264.256

MonoisotopicMass : 264.087199

CLogP : -1.8842

CLogS : -1.612

H Acceptors : 6

H Donors : 1

TotalSurfaceArea : 207.78

Relative PSA : 0.36028

PolarSurfaceArea : 95.53

Druglikeness : -1.8452

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.63158

Molecula Flexibility : 0.65554

Molecular Complexity : 0.61678

Fragments : 1

Non HAtoms : 19

NonCHAtoms : 6

Electronegative Atoms : 6

StereoCenters : 1

Rotatable Bond : 7

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 6

Symmetricatoms : 2

Amides : 1

AcidicOxygens : 1

StereoCon : this enantiomer