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

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

CAS: 193885-59-5

Formula: C25H31NO4

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

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

InChI: InChI=1S/C25H31NO4/c1-2-3-4-5-6-7-16-23(24(27)28)26-25(29)30-17-22-20-14-10-8-12-18(20)19-13-9-11-15-21(19)22/h8-15,22-23H,2-7,16-17H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1

Composition: C (73.32%), H (7.63%), N (3.42%), O (15.63%)

Molar Mass: 409.526

Atom Count: 61

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 409.225308482
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey LSMLSLHVRMSYPT-QHCPKHFHSA-N
Lipinski's Rule of Five
Molar Refractivity 116.71
Topological Polar Surface Area 75.63
Polarizability 46.9
Ring Count 3
Rotatable Bond Count 12

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