2-amino-3-[4-(benzyloxy)phenyl]propanoic acid

2-amino-3-[4-(benzyloxy)phenyl]propanoic acid

CAS: 96612-91-8

Formula: C16H17NO3

SMILES: NC(CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O

IUPAC: 2-amino-3-[4-(benzyloxy)phenyl]propanoic acid

InChI: InChI=1/C16H17NO3/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-9,15H,10-11,17H2,(H,18,19)

Composition: C (70.83%), H (6.32%), N (5.16%), O (17.69%)

Molar Mass: 271.316

Atom Count: 37

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	271.120843411
Formal Charge	0
FSP3	0.19
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KAFHLONDOVSENM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.19
Topological Polar Surface Area	72.55
Polarizability	29.99
Ring Count	2
Rotatable Bond Count	6

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