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(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid

CAS: 193954-26-6

Formula: C19H19NO4

SMILES: C[C@@H](CC(O)=O)NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12

IUPAC: (3S)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)butanoic acid

InChI: InChI=1S/C19H19NO4/c1-12(10-18(21)22)20-19(23)24-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,20,23)(H,21,22)/t12-/m0/s1

Composition: C (70.14%), H (5.89%), N (4.31%), O (19.67%)

Molar Mass: 325.364

Atom Count: 43

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 325.131408096
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LYMLSPRRJWJJQD-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 89.2
Topological Polar Surface Area 75.63
Polarizability 35.84
Ring Count 3
Rotatable Bond Count 6

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