(3R)-3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid

(3R)-3-[(tert-butoxycarbonyl)amino]-3-phenylpropanoic acid

CAS: 161024-80-2

Formula: C14H19NO4

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

IUPAC: (3R)-3-{[(tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid

InChI: InChI=1S/C14H19NO4/c1-14(2,3)19-13(18)15-11(9-12(16)17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)/t11-/m1/s1

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	265.131408096
Formal Charge	0
FSP3	0.43
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	JTNQFJPZRTURSI-LLVKDONJSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.86
Topological Polar Surface Area	75.63
Polarizability	27.5
Ring Count	1
Rotatable Bond Count	6

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