methyl (2R)-3-(5-bromopyridin-2-yl)-2-[(tert-butoxycarbonyl)amino]propanoate

methyl (2R)-3-(5-bromopyridin-2-yl)-2-[(tert-butoxycarbonyl)amino]propanoate

CAS: 1391465-94-3

Formula: C14H19BrN2O4

SMILES: COC(=O)[C@@H](CC1=CC=C(Br)C=N1)NC(=O)OC(C)(C)C

IUPAC: methyl (2R)-3-(5-bromopyridin-2-yl)-2-{[(tert-butoxy)carbonyl]amino}propanoate

InChI: InChI=1S/C14H19BrN2O4/c1-14(2,3)21-13(19)17-11(12(18)20-4)7-10-6-5-9(15)8-16-10/h5-6,8,11H,7H2,1-4H3,(H,17,19)/t11-/m1/s1

Composition: C (46.81%), H (5.33%), Br (22.24%), N (7.80%), O (17.82%)

Molar Mass: 359.22

Atom Count: 40

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	358.05282
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NYOJIOILNSLTLC-LLVKDONJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	79.65
Topological Polar Surface Area	77.52
Polarizability	31.61
Ring Count	1
Rotatable Bond Count	7

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