2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid

2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid

CAS: 153-91-3

Formula: C12H14N2O2

SMILES: CC(N)(CC1=CNC2=CC=CC=C12)C(O)=O

IUPAC: 2-amino-3-(1H-indol-3-yl)-2-methylpropanoic acid

InChI: InChI=1/C12H14N2O2/c1-12(13,11(15)16)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,14H,6,13H2,1H3,(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	ZTTWHZHBPDYSQB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.92
Topological Polar Surface Area	79.11
Polarizability	24.94
Ring Count	2
Rotatable Bond Count	3

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