benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

benzyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-hydroxypropanoate

CAS: 59524-02-6

Formula: C15H21NO5

SMILES: CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-hydroxypropanoate

InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-17)13(18)20-10-11-7-5-4-6-8-11/h4-8,12,17H,9-10H2,1-3H3,(H,16,19)/t12-/m0/s1

Composition: C (61.00%), H (7.17%), N (4.74%), O (27.09%)

Molar Mass: 295.335

Atom Count: 42

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	295.14197278
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	BQADRZHPZVQGCW-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.3
Topological Polar Surface Area	84.86
Polarizability	30.23
Ring Count	1
Rotatable Bond Count	8

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