Benzenepropanoic acid, b-amino-4-(1-methylethyl)- (117391-53-4)

The 3-Amino-3-(4-isopropylphenyl)propanoic acid with the CAS number 117391-53-4 is also called Benzenepropanoic acid, b-amino-4-(1-methylethyl)-. The IUPAC name is 3-amino-3-(4-propan-2-ylphenyl)propanoic acid. Its molecular formula is C₁₂H₁₇NO₂. This chemical is irritant. While using this chemical, you should be very cautious.

Properties of the 3-Amino-3-(4-isopropylphenyl)propanoic acid computed from structure: (1)XLogP3: -0.3; (2)H-Bond Donor: 2; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 4; (5)Exact Mass: 207.125929; (6)MonoIsotopic Mass: 207.125929; (7)Topological Polar Surface Area: 63.3; (8)Heavy Atom Count: 15; (9)Formal Charge: 0; (10)Complexity: 208; (11)Isotope Atom Count: 0; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Defined Bond StereoCenter Count: 0; (15)Undefined Bond StereoCenter Count: 0; (16)Covalently-Bonded Unit Count: 1; (17)Feature 3D Acceptor Count: 2; (18)Feature 3D Donor Count: 1; (19)Feature 3D Anion Count: 1; (20)Feature 3D Cation Count: 1; (21)Feature 3D Hydrophobe Count: 1; (22)Feature 3D Ring Count: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CC(N)c1ccc(cc1)C(C)C
(2)InChI: InChI=1/C12H17NO2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
(3)InChIKey: XRDCVKSGZNDEDT-UHFFFAOYAY