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3-[ethyl(4-methoxyphenyl)amino]propanoic acid

3-[ethyl(4-methoxyphenyl)amino]propanoic acid

CAS: 944885-95-4

Formula: C12H17NO3

SMILES: CCN(CCC(O)=O)C1=CC=C(OC)C=C1

IUPAC: 3-[ethyl(4-methoxyphenyl)amino]propanoic acid

InChI: InChI=1S/C12H17NO3/c1-3-13(9-8-12(14)15)10-4-6-11(16-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,15)

Composition: C (64.55%), H (7.67%), N (6.27%), O (21.50%)

Molar Mass: 223.272

Atom Count: 33

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 223.120843411
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey IPGKFTVKMPZDMY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.48
Topological Polar Surface Area 49.77
Polarizability 23.71
Ring Count 1
Rotatable Bond Count 6

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