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

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

CAS: 192003-01-3

Formula: C12H14N2O2

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

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

InChI: InChI=1S/C12H14N2O2/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)/t9-/m0/s1

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	DUVVFMLAHWNDJD-VIFPVBQESA-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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