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

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

CAS: 189619-55-4

Formula: C15H21NO4

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

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

InChI: InChI=1S/C15H21NO4/c1-15(2,3)20-14(19)16-10-12(13(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/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	3
Hydrogen Bond Donor Count	2
InChIKey	ZYCITKXROAFBAR-LBPRGKRZSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.85
Topological Polar Surface Area	75.63
Polarizability	29.33
Ring Count	1
Rotatable Bond Count	7

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