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Chemical ID: 6514177
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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