3-amino-3-[4-(diethylamino)-2-hydroxyphenyl]propanoic acid

3-amino-3-[4-(diethylamino)-2-hydroxyphenyl]propanoic acid

CAS: 682804-51-9

Formula: C13H20N2O3

SMILES: CCN(CC)C1=CC(O)=C(C=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-[4-(diethylamino)-2-hydroxyphenyl]propanoic acid

InChI: InChI=1/C13H20N2O3/c1-3-15(4-2)9-5-6-10(12(16)7-9)11(14)8-13(17)18/h5-7,11,16H,3-4,8,14H2,1-2H3,(H,17,18)

Composition: C (61.88%), H (7.99%), N (11.10%), O (19.02%)

Molar Mass: 252.314

Atom Count: 38

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	252.147392512
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	WQSFBYGIJNWAJA-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.89
Topological Polar Surface Area	86.79
Polarizability	27
Ring Count	1
Rotatable Bond Count	6

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