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

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

CAS: 186320-21-8

Formula: C21H23NO4

SMILES: CC(C)(C)C(NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O

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

InChI: InChI=1/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)

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-UHFFFAOYNA-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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