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2-amino-3-(4-methoxy-1H-indol-3-yl)propanoic acid

2-amino-3-(4-methoxy-1H-indol-3-yl)propanoic acid

CAS: 199540-73-3

Formula: C12H14N2O3

SMILES: COC1=C2C(CC(N)C(O)=O)=CNC2=CC=C1

IUPAC: 2-amino-3-(4-methoxy-1H-indol-3-yl)propanoic acid

InChI: InChI=1/C12H14N2O3/c1-17-10-4-2-3-9-11(10)7(6-14-9)5-8(13)12(15)16/h2-4,6,8,14H,5,13H2,1H3,(H,15,16)

Composition: C (61.53%), H (6.02%), N (11.96%), O (20.49%)

Molar Mass: 234.255

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 234.100442319
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VYXPKRIKQJEAOO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.67
Topological Polar Surface Area 88.34
Polarizability 25.61
Ring Count 2
Rotatable Bond Count 4

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