(2S)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoic acid

(2S)-2-amino-6-[(tert-butoxycarbonyl)amino]hexanoic acid

CAS: 2418-95-3

Formula: C11H22N2O4

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

IUPAC: (2S)-2-amino-6-{[(tert-butoxy)carbonyl]amino}hexanoic acid

InChI: InChI=1S/C11H22N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-8(12)9(14)15/h8H,4-7,12H2,1-3H3,(H,13,16)(H,14,15)/t8-/m0/s1

Composition: C (53.64%), H (9.00%), N (11.37%), O (25.98%)

Molar Mass: 246.307

Atom Count: 39

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	246.157957196
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	VVQIIIAZJXTLRE-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.68
Topological Polar Surface Area	101.65
Polarizability	25
Ring Count	0
Rotatable Bond Count	8

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