(2S)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid

(2S)-3-(tert-butoxy)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl](methyl)amino}propanoic acid

CAS: 197632-77-2

Formula: C23H27NO5

SMILES: CN([C@@H](COC(C)(C)C)C(O)=O)C(=O)OCC1C2=CC=CC=C2C2=C1C=CC=C2

IUPAC: (2S)-3-(tert-butoxy)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)propanoic acid

InChI: InChI=1S/C23H27NO5/c1-23(2,3)29-14-20(21(25)26)24(4)22(27)28-13-19-17-11-7-5-9-15(17)16-10-6-8-12-18(16)19/h5-12,19-20H,13-14H2,1-4H3,(H,25,26)/t20-/m0/s1

Composition: C (69.50%), H (6.85%), N (3.52%), O (20.13%)

Molar Mass: 397.471

Atom Count: 56

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	397.188922973
Formal Charge	0
FSP3	0.39
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PQSAXALAXPNFMG-FQEVSTJZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	109.57
Topological Polar Surface Area	76.07
Polarizability	43.89
Ring Count	3
Rotatable Bond Count	8

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