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58714-14-0 | N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-succinamic acid
CAS No: 58714-14-0 Catalog No: AG01F8CF MDL No:
Product Description
Catalog Number:
AG01F8CF
Chemical Name:
N-[2-(5-Methoxy-1H-indol-3-yl)-ethyl]-succinamic acid
CAS Number:
58714-14-0
Molecular Formula:
C15H18N2O4
Molecular Weight:
290.3144
IUPAC Name:
4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-4-oxobutanoic acid
InChI:
InChI=1S/C15H18N2O4/c1-21-11-2-3-13-12(8-11)10(9-17-13)6-7-16-14(18)4-5-15(19)20/h2-3,8-9,17H,4-7H2,1H3,(H,16,18)(H,19,20)
InChI Key:
HFHMMAITWIBNLP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)c(CCNC(=O)CCC(=O)O)c[nH]2
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
290.319g/mol
Monoisotopic Mass:
290.127g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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