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

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

CAS: 116747-54-7

Formula: C20H20N2O5

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

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

InChI: InChI=1S/C20H20N2O5/c1-12(19(25)21-10-18(23)24)22-20(26)27-11-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,12,17H,10-11H2,1H3,(H,21,25)(H,22,26)(H,23,24)/t12-/m0/s1

Composition: C (65.21%), H (5.47%), N (7.60%), O (21.71%)

Molar Mass: 368.389

Atom Count: 47

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 368.137221752
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GOCNEQGFDAXBQE-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.38
Topological Polar Surface Area 104.73
Polarizability 38.89
Ring Count 3
Rotatable Bond Count 7

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