3-{[4-(N-methylacetamido)phenyl]carbamoyl}propanoic acid

3-{[4-(N-methylacetamido)phenyl]carbamoyl}propanoic acid

Formula: C13H16N2O4

SMILES: CN(C(C)=O)C1=CC=C(NC(=O)CCC(O)=O)C=C1

IUPAC: 3-{[4-(N-methylacetamido)phenyl]carbamoyl}propanoic acid

InChI: InChI=1S/C13H16N2O4/c1-9(16)15(2)11-5-3-10(4-6-11)14-12(17)7-8-13(18)19/h3-6H,7-8H2,1-2H3,(H,14,17)(H,18,19)

Composition: C (59.08%), H (6.10%), N (10.60%), O (24.22%)

Molar Mass: 264.281

Atom Count: 35

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	264.111007003
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KTVMWKWWLLJDHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.79
Topological Polar Surface Area	86.71
Polarizability	26.19
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H16N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00