tert-butyl (3S)-3-amino-3-phenylpropanoate

tert-butyl (3S)-3-amino-3-phenylpropanoate

CAS: 120686-18-2

Formula: C13H19NO2

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

IUPAC: tert-butyl (3S)-3-amino-3-phenylpropanoate

InChI: InChI=1S/C13H19NO2/c1-13(2,3)16-12(15)9-11(14)10-7-5-4-6-8-10/h4-8,11H,9,14H2,1-3H3/t11-/m0/s1

Composition: C (70.56%), H (8.65%), N (6.33%), O (14.46%)

Molar Mass: 221.3

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	221.141578856
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	TYYCBAISLMKLMT-NSHDSACASA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.56
Topological Polar Surface Area	52.32
Polarizability	25.51
Ring Count	1
Rotatable Bond Count	5

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