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ethyl (1S,2R)-2-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate

ethyl (1S,2R)-2-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate

CAS: 1140972-32-2

Formula: C16H21NO4

SMILES: CCOC(=O)[C@H]1CCC[C@H]1NC(=O)OCC1=CC=CC=C1

IUPAC: ethyl (1S,2R)-2-{[(benzyloxy)carbonyl]amino}cyclopentane-1-carboxylate

InChI: InChI=1S/C16H21NO4/c1-2-20-15(18)13-9-6-10-14(13)17-16(19)21-11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,17,19)/t13-,14-/m0/s1

Composition: C (65.96%), H (7.27%), N (4.81%), O (21.97%)

Molar Mass: 291.347

Atom Count: 42

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 291.14705816
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HHLVBYDRFDRWTE-UONOGXRCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.62
Topological Polar Surface Area 64.63
Polarizability 30.69
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 1140972-32-2 $2,772.65-$6,929.90$2,772.65$6,929.90
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