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methyl (1R,2S)-2-[(tert-butoxycarbonyl)amino]cyclobutane-1-carboxylate

methyl (1R,2S)-2-[(tert-butoxycarbonyl)amino]cyclobutane-1-carboxylate

CAS: 868364-62-9

Formula: C11H19NO4

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

IUPAC: methyl (1R,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclobutane-1-carboxylate

InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(14)12-8-6-5-7(8)9(13)15-4/h7-8H,5-6H2,1-4H3,(H,12,14)/t7-,8+/m1/s1

Composition: C (57.63%), H (8.35%), N (6.11%), O (27.91%)

Molar Mass: 229.276

Atom Count: 35

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 229.131408096
Formal Charge 0
FSP3 0.82
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey PJCOLFTZORXKKQ-SFYZADRCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.46
Topological Polar Surface Area 64.63
Polarizability 23
Ring Count 1
Rotatable Bond Count 5

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