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3-amino-3-(2-hydroxynaphthalen-1-yl)propanoic acid

3-amino-3-(2-hydroxynaphthalen-1-yl)propanoic acid

CAS: 682803-52-7

Formula: C13H13NO3

SMILES: NC(CC(O)=O)C1=C2C=CC=CC2=CC=C1O

IUPAC: 3-amino-3-(2-hydroxynaphthalen-1-yl)propanoic acid

InChI: InChI=1/C13H13NO3/c14-10(7-12(16)17)13-9-4-2-1-3-8(9)5-6-11(13)15/h1-6,10,15H,7,14H2,(H,16,17)

Composition: C (67.52%), H (5.67%), N (6.06%), O (20.76%)

Molar Mass: 231.251

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 231.089543283
Formal Charge 0
FSP3 0.15
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VBNMPXYZUSONDP-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.42
Topological Polar Surface Area 83.55
Polarizability 25.99
Ring Count 2
Rotatable Bond Count 3

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