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methyl (1S,5R)-5-[(tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylate

methyl (1S,5R)-5-[(tert-butoxycarbonyl)amino]cyclohex-3-ene-1-carboxylate

CAS: 2407051-40-3

Formula: C13H21NO4

SMILES: COC(=O)[C@H]1CC=C[C@@H](C1)NC(=O)OC(C)(C)C

IUPAC: methyl (1S,5R)-5-{[(tert-butoxy)carbonyl]amino}cyclohex-3-ene-1-carboxylate

InChI: InChI=1S/C13H21NO4/c1-13(2,3)18-12(16)14-10-7-5-6-9(8-10)11(15)17-4/h5,7,9-10H,6,8H2,1-4H3,(H,14,16)/t9-,10-/m0/s1

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 255.14705816
Formal Charge 0
FSP3 0.69
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey CQKAZUJTQLQGJW-UWVGGRQHSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.78
Topological Polar Surface Area 64.63
Polarizability 26.41
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2407051-40-3 $342.70-$4,597.70$342.70$457.70$572.70$802.70$1,147.70$4,597.70
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