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

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

CAS: 159610-93-2

Formula: C19H19NO5

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

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

InChI: InChI=1S/C19H19NO5/c1-24-11-17(18(21)22)20-19(23)25-10-16-14-8-4-2-6-12(14)13-7-3-5-9-15(13)16/h2-9,16-17H,10-11H2,1H3,(H,20,23)(H,21,22)/t17-/m0/s1

Composition: C (66.85%), H (5.61%), N (4.10%), O (23.43%)

Molar Mass: 341.363

Atom Count: 44

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 341.126322716
Formal Charge 0
FSP3 0.26
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YFWAFELGMGZCHL-KRWDZBQOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 90.87
Topological Polar Surface Area 84.86
Polarizability 36.53
Ring Count 3
Rotatable Bond Count 7

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