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(1r,4r)-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

(1r,4r)-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

CAS: 27687-12-3

Formula: C16H21NO4

SMILES: OC(=O)[C@H]1CC[C@H](CNC(=O)OCC2=CC=CC=C2)CC1

IUPAC: (1r,4r)-4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylic acid

InChI: InChI=1/C16H21NO4/c18-15(19)14-8-6-12(7-9-14)10-17-16(20)21-11-13-4-2-1-3-5-13/h1-5,12,14H,6-11H2,(H,17,20)(H,18,19)/t12-,14-

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 0
Exact Mass 291.14705816
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey BTKCKOMQQMNUJB-MQMHXKEQNA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.58
Topological Polar Surface Area 75.63
Polarizability 30.45
Ring Count 2
Rotatable Bond Count 6

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Acrotein ChemBio Inc.,
Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 27687-12-3 $52.80-$492.48$52.80$158.40$492.48
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