N-Phthaloyl-L-glutamine

C₁₃H₁₂N₂O₅CAS 3343-29-1276.25 g/mol

Open in Covalent MOL file

Amide Carboxylic acid Lactam

Properties

Molecular formula: C₁₃H₁₂N₂O₅
Molar mass: 276.25 g/mol
Exact mass: 276.0746 Da
Melting point: 163 °C
logP: 1.05Crippen estimate
Polar surface area: 118.8 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 5
Stereocentres: Sin SMILES atom order

Identifiers

CAS number

3343-29-1

SMILES

N=C(O)CC[C@@H](C(=O)O)N1C(=O)c2ccccc2C1=O

InChIKey

JMKLVQRQCLMCIN-VIFPVBQESA-N

InChI

InChI=1S/C13H12N2O5/c14-10(16)6-5-9(13(19)20)15-11(17)7-3-1-2-4-8(7)12(15)18/h1-4,9H,5-6H2,(H2,14,16)(H,19,20)/t9-/m0/s1

Weigh it out

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

Names and synonyms

7 names

2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-, (αS)-
Glutaramic acid, 2-phthalimido-, L-
2H-Isoindole-2-acetic acid, α-(3-amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-, (S)-
(αS)-α-(3-Amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetic acid
N-Phthalylglutamine
NSC 88735
2H-Isoindole-2-acetic acid α-(3-amino-3-oxopropyl)-1,3-dihydro-1,3-dioxo-, (αS)-

Work with N-Phthaloyl-L-glutamine

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 acid2301-52-273 % similar N-Phthaloyl-L-glutamic acid340-90-973 % similar N-Phthaloyl-(S)-phenylalanine5123-55-760 % similar Thalidomide50-35-152 % similar 1,3-Dihydro-α-methyl-1,3-dioxo-2H-isoindole-2-acetic acid21860-84-450 % similar Phenylacetylglutamine28047-15-648 % similar N2-[(Phenylmethoxy)carbonyl]-L-glutamine2650-64-845 % similar 1-(Phenylmethyl) (2S)-5-oxo-1,2-pyrrolidinedicarboxylate32159-21-045 % similar

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

Elsewhere

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