2-[(3-methylphenyl)methyl]-3-[(4-nitrophenyl)carbamoyl]propanoic acid

2-[(3-methylphenyl)methyl]-3-[(4-nitrophenyl)carbamoyl]propanoic acid

Formula: C18H18N2O5

SMILES: CC1=CC(CC(CC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)C(O)=O)=CC=C1

IUPAC: 2-[(3-methylphenyl)methyl]-3-[(4-nitrophenyl)carbamoyl]propanoic acid

InChI: InChI=1/C18H18N2O5/c1-12-3-2-4-13(9-12)10-14(18(22)23)11-17(21)19-15-5-7-16(8-6-15)20(24)25/h2-9,14H,10-11H2,1H3,(H,19,21)(H,22,23)

Composition: C (63.15%), H (5.30%), N (8.18%), O (23.37%)

Molar Mass: 342.351

Atom Count: 43

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	342.121571688
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	XZDLOWSUFHTFDL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.45
Topological Polar Surface Area	109.54
Polarizability	34.5
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H18N2O5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00