3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid

3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid

CAS: 902745-25-9

Formula: C14H21NO4

SMILES: COC1=C(OCC(C)C)C=CC(=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-[3-methoxy-4-(2-methylpropoxy)phenyl]propanoic acid

InChI: InChI=1/C14H21NO4/c1-9(2)8-19-12-5-4-10(6-13(12)18-3)11(15)7-14(16)17/h4-6,9,11H,7-8,15H2,1-3H3,(H,16,17)

Composition: C (62.90%), H (7.92%), N (5.24%), O (23.94%)

Molar Mass: 267.325

Atom Count: 40

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	267.14705816
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	APGHCZOLJGNWBM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.66
Topological Polar Surface Area	81.78
Polarizability	28.46
Ring Count	1
Rotatable Bond Count	7

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