chempirical

Serotonin adipate

C16H22N2O5CAS 16031-83-7322.36 g/mol

Open in Covalent MOL file
H2NNHOHOHOOOH
Carboxylic acidPhenolPrimary amine

Properties

Molecular formula
C16H22N2O5
Molar mass
322.36 g/mol
Exact mass
322.1529 Da
logP
2.09Crippen estimate
Polar surface area
136.6 Ų
H-bond donors / acceptors
5 / 4
Rotatable bonds
7

Identifiers

CAS number
16031-83-7
SMILES
NCCc1c[nH]c2ccc(O)cc12.O=C(O)CCCCC(=O)O
InChIKey
QUDKLAIWRJDCMU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O.C6H10O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;7-5(8)3-1-2-4-6(9)10/h1-2,5-6,12-13H,3-4,11H2;1-4H2,(H,7,8)(H,9,10)

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

Names and synonyms

6 names
  • Hexanedioic acid, compd. with 3-(2-aminoethyl)-1H-indol-5-ol (1:1)
  • Adipic acid, compd. with 3-(2-aminoethyl)indol-5-ol (1:1)
  • Indol-5-ol, 3-(2-aminoethyl)-, adipate (1:1) (salt)
  • 1H-Indol-5-ol, 3-(2-aminoethyl)-, hexanedioate (1:1) (salt)
  • 5-Hydroxytryptamine adipic acid salt
  • Serotonin adipinate

Work with Serotonin adipate

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

Serotonin50-67-971 % similar Serotonin hydrochloride153-98-067 % similar 5-Hydroxyindoleacetic acid1321-73-965 % similar 5-Hydroxyindoleacetic acid54-16-065 % similar 5-Bromo-1H-indole-3-butanoic acid13993-31-260 % similar Indole-3-butyric acid133-32-453 % similar (±)-5-Hydroxytryptophan114-03-453 % similar 5-Hydroxytryptophan4350-09-853 % similar

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

Same formula

1,5-Diethyl N-(4-aminobenzoyl)-L-glutamate13726-52-8 N-[3-[Bis[2-(acetyloxy)ethyl]amino]phenyl]acetamide27059-08-1 N-[3-(Acetylamino)phenyl]-N-(3-methoxy-3-oxopropyl)-β-alanine methyl ester61038-96-8 Ehida63245-28-3

Elsewhere

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