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methyl (1s,3s)-1-[(tert-butoxycarbonyl)amino]-3-(hydroxymethyl)cyclobutane-1-carboxylate

methyl (1s,3s)-1-[(tert-butoxycarbonyl)amino]-3-(hydroxymethyl)cyclobutane-1-carboxylate

CAS: 116129-03-4

Formula: C12H21NO5

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

IUPAC: methyl (1s,3s)-1-{[(tert-butoxy)carbonyl]amino}-3-(hydroxymethyl)cyclobutane-1-carboxylate

InChI: InChI=1/C12H21NO5/c1-11(2,3)18-10(16)13-12(9(15)17-4)5-8(6-12)7-14/h8,14H,5-7H2,1-4H3,(H,13,16)/t8-,12+

Composition: C (55.58%), H (8.16%), N (5.40%), O (30.85%)

Molar Mass: 259.302

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 259.14197278
Formal Charge 0
FSP3 0.83
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JWUKOWKUAPSHEH-LYWQIFSTNA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.9
Topological Polar Surface Area 84.86
Polarizability 25.5
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 116129-03-4 $554.84-$871.35$554.84$871.35
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