methyl N-[(benzyloxy)carbonyl]glycylprolinate

1. Names and Identifiers

1.2 Synonyms: AC1L6S80; CTK2F7416; DTXSID60305104; HE377158; methyl 1-(2-{[(benzyloxy)carbonyl]amino}acetyl)pyrrolidine-2-carboxylate; methyl 1-(2-phenylmethoxycarbonylaminoacetyl)pyrrolidine-2-carboxylate; methyl 1-[2-(phenylmethoxycarbonylamino)acetyl]pyrrolidine-2-carboxylate; nsc169133; proline, N-[(phenylmethoxy)carbonyl]glycyl-, methyl ester;

1.6 Inchi: InChI=1S/C16H20N2O5/c1-22-15(20)13-8-5-9-18(13)14(19)10-17-16(21)23-11-12-6-3-2-4-7-12/h2-4,6-7,13H,5,8-11H2,1H3,(H,17,21)

2. Computed Properties

Molecular Weight：320.345g/mol
Molecular Formula：C₁₆H₂₀N₂O₅
Compound Is Canonicalized：True
XLogP3-AA：320.13722174
Monoisotopic Mass：320.13722174
Complexity：434
Rotatable Bond Count：7
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：5
Topological Polar Surface Area：84.9
Heavy Atom Count：：23
Defined Atom Stereocenter Count：0
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：AAADceB7OAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABAAAAHgAQAAAADCjhmAYyCIPABACIAiHSGAACAAAgAAAIiIGICIkKZjKAsTidMAAkxgGYqAeY0SIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

3. Realated Product Infomation

1. Names and Identifiers