(2R)-2-amino-3-(anthracen-9-yl)propanoic acid

(2R)-2-amino-3-(anthracen-9-yl)propanoic acid

CAS: 100896-08-0

Formula: C17H15NO2

SMILES: N[C@H](CC1=C2C=CC=CC2=CC2=CC=CC=C12)C(O)=O

IUPAC: (2R)-2-amino-3-(anthracen-9-yl)propanoic acid

InChI: InChI=1S/C17H15NO2/c18-16(17(19)20)10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)15/h1-9,16H,10,18H2,(H,19,20)/t16-/m1/s1

Composition: C (76.96%), H (5.70%), N (5.28%), O (12.06%)

Molar Mass: 265.312

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	265.110278727
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	MRVJUNXMEDRMRO-MRXNPFEDSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.02
Topological Polar Surface Area	63.32
Polarizability	33.02
Ring Count	3
Rotatable Bond Count	3

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