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Chemical ID: 6048528
Chemical ID:
6048528
Name [?]:
tert-butyl 3-(aminocarbamoyl)pyrrolidine-1-carboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CCC(C1)C(=O)NN
InChi [?]:
InChI=1/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-7(6-13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,10,9,12,11,13,6,2,16,15,8,14,7,5/E:(1,2,3)/rA:16cCCCCOCONCCCCCONN/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s11;d13;s13;s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H19N3O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.12077 |
Area: | 417.487 |
Solvation: | -3.31642 |
Coulombic: | -54.8319 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 229.276 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.33 |
LogP (Chemaxon): | -0.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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