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ethyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

ethyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

CAS: 1000-00-6

Formula: C13H17ClN2O2

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

IUPAC: ethyl 2-amino-3-(1H-indol-3-yl)propanoate hydrochloride

InChI: InChI=1/C13H16N2O2.ClH/c1-2-17-13(16)11(14)7-9-8-15-12-6-4-3-5-10(9)12;/h3-6,8,11,15H,2,7,14H2,1H3;1H

Composition: C (58.10%), H (6.38%), Cl (13.19%), N (10.42%), O (11.91%)

Molar Mass: 268.74

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 268.0978555
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey PESYCVVSLYSXAK-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.72
Topological Polar Surface Area 68.11
Polarizability 27.04
Ring Count 2
Rotatable Bond Count 5

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