methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropanoate

CAS: 51987-73-6

Formula: C15H21NO4

SMILES: COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C

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

InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m0/s1

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	SDSWSVBXRBXPRL-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.76
Topological Polar Surface Area	64.63
Polarizability	29.58
Ring Count	1
Rotatable Bond Count	7

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