benzyl 2-amino-3-(thiophen-2-yl)propanoate

benzyl 2-amino-3-(thiophen-2-yl)propanoate

CAS: 755733-01-8

Formula: C14H15NO2S

SMILES: NC(CC1=CC=CS1)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 2-amino-3-(thiophen-2-yl)propanoate

InChI: InChI=1/C14H15NO2S/c15-13(9-12-7-4-8-18-12)14(16)17-10-11-5-2-1-3-6-11/h1-8,13H,9-10,15H2

Composition: C (64.34%), H (5.79%), N (5.36%), O (12.24%), S (12.27%)

Molar Mass: 261.34

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	261.082349901
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FXQORABHOVFSIG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.5
Topological Polar Surface Area	52.32
Polarizability	28.22
Ring Count	2
Rotatable Bond Count	6

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95%	<2 Days	755733-01-8		$51.35-$340.86$51.35$63.37$86.31$221.78$340.86