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(3R)-3-amino-4-(4-methylphenyl)butanoic acid

(3R)-3-amino-4-(4-methylphenyl)butanoic acid

CAS: 177839-85-9

Formula: C11H15NO2

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

IUPAC: (3R)-3-amino-4-(4-methylphenyl)butanoic acid

InChI: InChI=1S/C11H15NO2/c1-8-2-4-9(5-3-8)6-10(12)7-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)/t10-/m1/s1

Composition: C (68.37%), H (7.82%), N (7.25%), O (16.56%)

Molar Mass: 193.246

Atom Count: 29

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 193.110278727
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey OCNPVFDANAYUCR-SNVBAGLBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.78
Topological Polar Surface Area 63.32
Polarizability 21.49
Ring Count 1
Rotatable Bond Count 4

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