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(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid hydrochloride

(3S)-3-amino-4-(1H-indol-3-yl)butanoic acid hydrochloride

CAS: 339994-86-4

Formula: C12H15ClN2O2

SMILES: Cl.N[C@H](CC(O)=O)CC1=CNC2=CC=CC=C12

IUPAC: (3S)-3-amino-4-(1H-indol-3-yl)butanoic acid hydrochloride

InChI: InChI=1S/C12H14N2O2.ClH/c13-9(6-12(15)16)5-8-7-14-11-4-2-1-3-10(8)11;/h1-4,7,9,14H,5-6,13H2,(H,15,16);1H/t9-;/m0./s1

Composition: C (56.59%), H (5.94%), Cl (13.92%), N (11.00%), O (12.56%)

Molar Mass: 254.71

Atom Count: 32

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 254.0822054
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey XALSUNLRNHITKL-FVGYRXGTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.83
Topological Polar Surface Area 79.11
Polarizability 24.94
Ring Count 2
Rotatable Bond Count 4

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