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(2R,3S)-4-(tert-butoxycarbonyl)-2-methylmorpholine-3-carboxylic acid

(2R,3S)-4-(tert-butoxycarbonyl)-2-methylmorpholine-3-carboxylic acid

CAS: 1807938-50-6

Formula: C11H19NO5

SMILES: C[C@H]1OCCN([C@@H]1C(O)=O)C(=O)OC(C)(C)C

IUPAC: (2R,3S)-4-[(tert-butoxy)carbonyl]-2-methylmorpholine-3-carboxylic acid

InChI: InChI=1S/C11H19NO5/c1-7-8(9(13)14)12(5-6-16-7)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-,8+/m1/s1

Composition: C (53.87%), H (7.81%), N (5.71%), O (32.61%)

Molar Mass: 245.275

Atom Count: 36

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 245.126322716
Formal Charge 0
FSP3 0.82
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XUJUXKBCUVWHIX-SFYZADRCSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.01
Topological Polar Surface Area 76.07
Polarizability 23.5
Ring Count 1
Rotatable Bond Count 3

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