(2S)-4-(tert-butoxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid

(2S)-4-(tert-butoxy)-2-[(tert-butoxycarbonyl)amino]-4-oxobutanoic acid

CAS: 1676-90-0

Formula: C13H23NO6

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

IUPAC: (2S)-4-(tert-butoxy)-2-{[(tert-butoxy)carbonyl]amino}-4-oxobutanoic acid

InChI: InChI=1S/C13H23NO6/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6/h8H,7H2,1-6H3,(H,14,18)(H,16,17)/t8-/m0/s1

Composition: C (53.97%), H (8.01%), N (4.84%), O (33.18%)

Molar Mass: 289.328

Atom Count: 43

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	289.152537465
Formal Charge	0
FSP3	0.77
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PHJDCONJXLIIPW-QMMMGPOBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.98
Topological Polar Surface Area	101.93
Polarizability	28
Ring Count	0
Rotatable Bond Count	8

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