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3-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid

3-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid

CAS: 773119-95-2

Formula: C12H14N2O2

SMILES: CC1=CC=C2C(NC=C2C(N)CC(O)=O)=C1

IUPAC: 3-amino-3-(6-methyl-1H-indol-3-yl)propanoic acid

InChI: InChI=1/C12H14N2O2/c1-7-2-3-8-9(6-14-11(8)4-7)10(13)5-12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)

Composition: C (66.04%), H (6.47%), N (12.84%), O (14.66%)

Molar Mass: 218.256

Atom Count: 30

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 218.105527699
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey NHENSSFHANXIPV-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.11
Topological Polar Surface Area 79.11
Polarizability 24.85
Ring Count 2
Rotatable Bond Count 3

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95% <5 Days 773119-95-2 $2,640.00-$4,306.00$2,640.00$3,520.00$4,306.00
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