(2S)-3-[4-(benzyloxy)phenyl]-2-[(tert-butoxycarbonyl)(methyl)amino]propanoic acid

(2S)-3-[4-(benzyloxy)phenyl]-2-[(tert-butoxycarbonyl)(methyl)amino]propanoic acid

CAS: 64263-81-6

Formula: C22H27NO5

SMILES: CN([C@@H](CC1=CC=C(OCC2=CC=CC=C2)C=C1)C(O)=O)C(=O)OC(C)(C)C

IUPAC: (2S)-3-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl](methyl)amino}propanoic acid

InChI: InChI=1S/C22H27NO5/c1-22(2,3)28-21(26)23(4)19(20(24)25)14-16-10-12-18(13-11-16)27-15-17-8-6-5-7-9-17/h5-13,19H,14-15H2,1-4H3,(H,24,25)/t19-/m0/s1

Composition: C (68.55%), H (7.06%), N (3.63%), O (20.75%)

Molar Mass: 385.46

Atom Count: 55

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	385.188922973
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FSNRGORPOYPIJC-IBGZPJMESA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.96
Topological Polar Surface Area	76.07
Polarizability	41.43
Ring Count	2
Rotatable Bond Count	9

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