chempirical

N-Phthaloyl-(S)-phenylalanine

C17H13NO4CAS 5123-55-7295.29 g/mol

Open in Covalent MOL file
OOHNOO
AmideCarboxylic acidLactam

Properties

Molecular formula
C17H13NO4
Molar mass
295.29 g/mol
Exact mass
295.0845 Da
Density
1.36 g/mL
Melting point
183–184 °C
logP
1.98Crippen estimate
Polar surface area
74.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
5123-55-7
SMILES
O=C(O)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIKey
VAYRSTHMTWUHGE-AWEZNQCLSA-N
InChI
InChI=1S/C17H13NO4/c19-15-12-8-4-5-9-13(12)16(20)18(15)14(17(21)22)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H,21,22)/t14-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

11 names
  • 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-α-(phenylmethyl)-, (αS)-
  • 2H-Isoindole-2-acetic acid, 1,3-dihydro-1,3-dioxo-α-(phenylmethyl)-, (S)-
  • 2-Isoindolineacetic acid, α-benzyl-1,3-dioxo-, (S)-(-)-
  • (αS)-1,3-Dihydro-1,3-dioxo-α-(phenylmethyl)-2H-isoindole-2-acetic acid
  • (S)-N-Phthaloylphenylalanine
  • N-Phthaloyl-L-phenylalanine
  • Phthaloyl-L-phenylalanine
  • (S)-2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)-3-phenylpropanoic acid
  • L-N-Phthaloylphenylalanine
  • (2S)-2-(1,3-Dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid
  • (2S)-2-(1,3-Dioxoisoindol-2-yl)-3-phenylpropanoic acid

Work with N-Phthaloyl-(S)-phenylalanine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)pentanedioic acid2301-52-265 % similar N-Phthaloyl-L-glutamic acid340-90-965 % similar N-Phthaloyl-L-glutamine3343-29-160 % similar 1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-456 % similar Benzylmalonic acid616-75-156 % similar Benzylsuccinic acid36092-42-955 % similar (2S)-2-(Phenylmethyl)butanedioic acid3972-36-955 % similar Benzylsuccinic acid884-33-355 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 4-hydroxy-7-phenoxyisoquinoline-3-carboxylate1455091-10-7

Elsewhere

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