methyl (3S)-3-(4-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoate

methyl (3S)-3-(4-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoate

CAS: 952729-67-8

Formula: C15H20BrNO4

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

IUPAC: methyl (3S)-3-(4-bromophenyl)-3-{[(tert-butoxy)carbonyl]amino}propanoate

InChI: InChI=1S/C15H20BrNO4/c1-15(2,3)21-14(19)17-12(9-13(18)20-4)10-5-7-11(16)8-6-10/h5-8,12H,9H2,1-4H3,(H,17,19)/t12-/m0/s1

Composition: C (50.29%), H (5.63%), Br (22.31%), N (3.91%), O (17.86%)

Molar Mass: 358.232

Atom Count: 41

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	357.057571
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	JPKABPHRXUGGJL-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.25
Topological Polar Surface Area	64.63
Polarizability	32.43
Ring Count	1
Rotatable Bond Count	7

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95%	<2 Days	952729-67-8		$524.40-$823.75$524.40$524.40$823.75$823.75