Chemical ID: 5756431

CC(C)(C)NC(=O)C1CCCN1C(=O)OC(C)(C)C
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

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Descriptor Annotations

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