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tert-butyl (2S)-2-amino-2-(pyridin-4-yl)acetate

tert-butyl (2S)-2-amino-2-(pyridin-4-yl)acetate

CAS: 2349849-91-6

Formula: C11H16N2O2

SMILES: CC(C)(C)OC(=O)[C@@H](N)C1=CC=NC=C1

IUPAC: tert-butyl (2S)-2-amino-2-(pyridin-4-yl)acetate

InChI: InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)9(12)8-4-6-13-7-5-8/h4-7,9H,12H2,1-3H3/t9-/m0/s1

Composition: C (63.44%), H (7.74%), N (13.45%), O (15.36%)

Molar Mass: 208.261

Atom Count: 31

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 208.121177763
Formal Charge 0
FSP3 0.45
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey TWWJJUHZTPNNBP-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.78
Topological Polar Surface Area 65.21
Polarizability 22.76
Ring Count 1
Rotatable Bond Count 4

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