1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

tert-butyl (2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyridine-3-carbonylamino)propanoate

2.1.2 InChI

InChI=1S/C17H26N2O4/c1-16(2,3)22-11-13(15(21)23-17(4,5)6)19-14(20)12-8-7-9-18-10-12/h7-10,13H,11H2,1-6H3,(H,19,20)/t13-/m0/s1

2.1.3 InChI Key

OBBPLQHFMAPHJF-ZDUSSCGKSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl22262958

2. 2229891-12-5

2.3 Create Date

2020-08-12

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₂₆N₂O₄
Molecular Weight	322.4 g/mol
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	77.5
Heavy Atom Count	23
Formal Charge	0
Complexity	410
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Tert-butyl(2S)-3-[(2-methylpropan-2-yl)oxy]-2-(pyridine-3-carbonylamino)propanoate