3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid

3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid

CAS: 887583-86-0

Formula: C11H15NO4

SMILES: COCOC1=CC=CC(=C1)C(N)CC(O)=O

IUPAC: 3-amino-3-[3-(methoxymethoxy)phenyl]propanoic acid

InChI: InChI=1/C11H15NO4/c1-15-7-16-9-4-2-3-8(5-9)10(12)6-11(13)14/h2-5,10H,6-7,12H2,1H3,(H,13,14)

Composition: C (58.66%), H (6.71%), N (6.22%), O (28.41%)

Molar Mass: 225.244

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.100107967
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	PUNQTUQIUFKRBE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.3
Topological Polar Surface Area	81.78
Polarizability	22.97
Ring Count	1
Rotatable Bond Count	6

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95%	<5 Days	887583-86-0		$2,200.00-$3,740.00$2,200.00$2,860.00$3,740.00