5-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-2-(morpholin-4-yl)benzoic acid

5-[(2H-1,3-benzodioxol-5-ylmethyl)amino]-2-(morpholin-4-yl)benzoic acid

Formula: C19H20N2O5

SMILES: OC(=O)C1=CC(NCC2=CC=C3OCOC3=C2)=CC=C1N1CCOCC1

IUPAC: 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-(morpholin-4-yl)benzoic acid

InChI: InChI=1S/C19H20N2O5/c22-19(23)15-10-14(2-3-16(15)21-5-7-24-8-6-21)20-11-13-1-4-17-18(9-13)26-12-25-17/h1-4,9-10,20H,5-8,11-12H2,(H,22,23)

Composition: C (64.04%), H (5.66%), N (7.86%), O (22.45%)

Molar Mass: 356.378

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	356.137221752
Formal Charge	0
FSP3	0.32
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	CQFKRJZFDSRFJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.39
Topological Polar Surface Area	80.26
Polarizability	36.2
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00