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

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

Formula: C13H15NO5

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

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

InChI: InChI=1S/C13H15NO5/c1-2-19-13(18)9-3-5-10(6-4-9)14-11(15)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,17)

Composition: C (58.86%), H (5.70%), N (5.28%), O (30.16%)

Molar Mass: 265.265

Atom Count: 34

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	265.095022587
Formal Charge	0
FSP3	0.31
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SOHDJPBMTCUKLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.59
Topological Polar Surface Area	92.7
Polarizability	25.75
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H15NO5		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00