methyl (3S)-3-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

methyl (3S)-3-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

CAS: 35909-92-3

Formula: C18H19NO4

SMILES: COC(=O)C[C@H](NC(=O)OCC1=CC=CC=C1)C1=CC=CC=C1

IUPAC: methyl (3S)-3-{[(benzyloxy)carbonyl]amino}-3-phenylpropanoate

InChI: InChI=1S/C18H19NO4/c1-22-17(20)12-16(15-10-6-3-7-11-15)19-18(21)23-13-14-8-4-2-5-9-14/h2-11,16H,12-13H2,1H3,(H,19,21)/t16-/m0/s1

Composition: C (69.00%), H (6.11%), N (4.47%), O (20.42%)

Molar Mass: 313.353

Atom Count: 42

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	313.131408096
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	CWWDOSGINLYWIK-INIZCTEOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.43
Topological Polar Surface Area	64.63
Polarizability	33.63
Ring Count	2
Rotatable Bond Count	8

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95%	<8 Days	35909-92-3		$57.14-$822.86$57.14$171.43$274.29$514.29$822.86