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Chemical ID: 5756431
Chemical ID:
5756431
Name [?]:
tert-butyl 2-(tert-butylcarbamoyl)pyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)NC(=O)C1CCCN1C(=O)OC(C)(C)C
InChi [?]:
InChI=1/C14H26N2O3/c1-13(2,3)15-11(17)10-8-7-9-16(10)12(18)19-14(4,5)6/h10H,7-9H2,1-6H3,(H,15,17)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,19,10,9,11,8,6,13,2,16,5,12,7,14,15/E:(1,2,3)(4,5,6)/rA:19cCCCCNCOCCCCNCOOCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s16;s16;s16;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H26N2O3 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.93909 |
Area: | 464.483 |
Solvation: | -2.67298 |
Coulombic: | -50.1696 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 270.368 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.4 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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