2-[(tert-butoxycarbonyl)amino]hex-5-enoic acid

2-[(tert-butoxycarbonyl)amino]hex-5-enoic acid

CAS: 214206-61-8

Formula: C11H19NO4

SMILES: CC(C)(C)OC(=O)NC(CCC=C)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}hex-5-enoic acid

InChI: InChI=1/C11H19NO4/c1-5-6-7-8(9(13)14)12-10(15)16-11(2,3)4/h5,8H,1,6-7H2,2-4H3,(H,12,15)(H,13,14)

Composition: C (57.63%), H (8.35%), N (6.11%), O (27.91%)

Molar Mass: 229.276

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	229.131408096
Formal Charge	0
FSP3	0.64
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LQIMZUPFMSNHTM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.14
Topological Polar Surface Area	75.63
Polarizability	23.22
Ring Count	0
Rotatable Bond Count	7

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