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7-Methoxy-beta-carboline-1-propionic acid

PubChem CID: 12082492

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Compound Synonyms 137756-13-9, 7-Methoxy-beta-carboline-1-propionic acid, 7-Methoxy-b-carboline-1-propionic acid, 3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid, 9H-Pyrido[3,4-b]indole-1-propanoic acid, 7-methoxy-, 7-Methoxy-, A-carboline-1-propionic acid, 3-{7-methoxy-9H-pyrido[3,4-b]indol-1-yl}propanoic acid, 3-(7-Methoxy-9H-beta-carbolin-1-yl)propanoic acid, CHEMBL504997, DTXSID50477248, HY-N7173, AKOS037778219, FS-7454, DB-350838, CS-0103786
Topological Polar Surface Area 75.2
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 20.0
Isotope Atom Count 0.0
Molecular Complexity 363.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 3-(7-methoxy-9H-pyrido[3,4-b]indol-1-yl)propanoic acid
Prediction Hob 1.0
Xlogp 3.0
Molecular Formula C15H14N2O3
Prediction Swissadme 0.0
Inchi Key WEBVBZDGWMAXEF-UHFFFAOYSA-N
Fcsp3 0.2
Logs -2.266
Rotatable Bond Count 4.0
Logd 1.503
Compound Name 7-Methoxy-beta-carboline-1-propionic acid
Prediction Hob Swissadme 0.0
Exact Mass 270.1
Formal Charge 0.0
Monoisotopic Mass 270.1
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 270.28
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -3.0431855999999993
Inchi InChI=1S/C15H14N2O3/c1-20-9-2-3-10-11-6-7-16-12(4-5-14(18)19)15(11)17-13(10)8-9/h2-3,6-8,17H,4-5H2,1H3,(H,18,19)
Smiles COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)CCC(=O)O
Nring 2.0
Defined Bond Stereocenter Count 0.0