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(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-enoic acid

(3R)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}hex-5-enoic acid

CAS: 269726-95-6

Formula: C21H21NO4

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

IUPAC: (3R)-3-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)hex-5-enoic acid

InChI: InChI=1S/C21H21NO4/c1-2-7-14(12-20(23)24)22-21(25)26-13-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h2-6,8-11,14,19H,1,7,12-13H2,(H,22,25)(H,23,24)/t14-/m1/s1

Composition: C (71.78%), H (6.02%), N (3.99%), O (18.21%)

Molar Mass: 351.402

Atom Count: 47

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 351.14705816
Formal Charge 0
FSP3 0.24
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey SVCMPCVPSYAVJO-CQSZACIVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.37
Topological Polar Surface Area 75.63
Polarizability 39.28
Ring Count 3
Rotatable Bond Count 8

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