(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,3-dimethylbutanoic acid

(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3,3-dimethylbutanoic acid

CAS: 198543-64-5

Formula: C21H23NO4

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

IUPAC: (2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-3,3-dimethylbutanoic acid

InChI: InChI=1S/C21H23NO4/c1-21(2,3)18(19(23)24)22-20(25)26-12-17-15-10-6-4-8-13(15)14-9-5-7-11-16(14)17/h4-11,17-18H,12H2,1-3H3,(H,22,25)(H,23,24)/t18-/m0/s1

Composition: C (71.37%), H (6.56%), N (3.96%), O (18.11%)

Molar Mass: 353.418

Atom Count: 49

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	353.162708225
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	VZOHGJIGTNUNNC-SFHVURJKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.97
Topological Polar Surface Area	75.63
Polarizability	39.52
Ring Count	3
Rotatable Bond Count	6

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