(2S)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate

1. Names and Identifiers

1.1 Name: (2S)-Methyl 4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate

1.2 Synonyms: L-Proline, 4-[[(phenylMethoxy)carbonyl]aMino]-, Methyl ester; L-Proline, 4-[[(phenylmethoxy)carbonyl]amino]-, methyl ester, hydrochloride (1:1); methyl (2S)-4-(((benzyloxy)carbonyl)amino)pyrrolidine-2-carboxylate; Methyl 4-{[(benzyloxy)carbonyl]amino}-L-prolinate hydrochloride (1:1);

1.6 Inchi: InChI=1S/C14H18N2O4/c1-19-13(17)12-7-11(8-15-12)16-14(18)20-9-10-5-3-2-4-6-10/h2-6,11-12,15H,7-9H2,1H3,(H,16,18)/t11?,12-/m0/s1

2. Computed Properties

Molecular Weight：278.308g/molg/mol
Molecular Formula：C₁₄H₁₈N₂O₄
Compound Is Canonicalized：True
Exact Mass：1.2
XLogP3-AA：278.12665706
Monoisotopic Mass：278.12665706
Complexity：342
Rotatable Bond Count：6
Hydrogen Bond Donor Count：2
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：76.7
Heavy Atom Count：：20
Defined Atom Stereocenter Count：1
Undefined Atom Stereocenter Count：1
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADceBzOAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjhmAYyCILABACIAiDSGAACAAAgAAAIiIGICIkKZjKA8TidMAAk1gGYqAe80SAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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4. Realated Product Infomation

1. Names and Identifiers