Chemical ID: 6514177

CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
Chemical ID:
6514177
Name [?]:
5-oxo-5-tert-butoxy-2-tert-butoxycarbonylamino-pentanoic acid
SMILES [?]:
CC(C)(C)OC(=O)CCC(C(=O)O)NC(=O)OC(C)(C)C
InChi [?]:
InChI=1/C14H25NO6/c1-13(2,3)20-10(16)8-7-9(11(17)18)15-12(19)21-14(4,5)6/h9H,7-8H2,1-6H3,(H,15,19)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,19,20,21,9,8,10,6,11,15,2,18,14,7,12,13,16,5,17/E:(1,2,3)(4,5,6)(17,18)/rA:21cCCCCOCOCCCCOONCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;d11;s11;s10;s14;d15;s15;s17;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H25NO6
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:9.53865
Area:527.536
Solvation:-3.64975
Coulombic:-77.5681
Bond Count [?]
All:20
Single:17
Double:3
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:303.351
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:2.19
LogP (Chemaxon):1.25

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