(2S)-2-amino-3-(2-fluoro-3-methoxyphenyl)propanoic acid

(2S)-2-amino-3-(2-fluoro-3-methoxyphenyl)propanoic acid

CAS: 1270286-01-5

Formula: C10H12FNO3

SMILES: COC1=C(F)C(C[C@H](N)C(O)=O)=CC=C1

IUPAC: (2S)-2-amino-3-(2-fluoro-3-methoxyphenyl)propanoic acid

InChI: InChI=1S/C10H12FNO3/c1-15-8-4-2-3-6(9(8)11)5-7(12)10(13)14/h2-4,7H,5,12H2,1H3,(H,13,14)/t7-/m0/s1

Composition: C (56.33%), H (5.67%), F (8.91%), N (6.57%), O (22.51%)

Molar Mass: 213.208

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	213.080121413
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OPYDFQNSNRYATA-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.8
Topological Polar Surface Area	72.55
Polarizability	20.16
Ring Count	1
Rotatable Bond Count	4

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