(2S)-2-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoic acid

(2S)-2-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoic acid

CAS: 1269926-90-0

Formula: C11H12F3NO3

SMILES: C[C@](N)(CC1=CC=C(OC(F)(F)F)C=C1)C(O)=O

IUPAC: (2S)-2-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]propanoic acid

InChI: InChI=1S/C11H12F3NO3/c1-10(15,9(16)17)6-7-2-4-8(5-3-7)18-11(12,13)14/h2-5H,6,15H2,1H3,(H,16,17)/t10-/m1/s1

Composition: C (50.19%), H (4.60%), F (21.65%), N (5.32%), O (18.23%)

Molar Mass: 263.216

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	263.076927739
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	AYWWOOCNIXIIJO-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.9
Topological Polar Surface Area	72.55
Polarizability	21.72
Ring Count	1
Rotatable Bond Count	5

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