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Chemical ID: 6689454
Chemical ID:
6689454
Name [?]:
tert-butyl methyl 4-hydroxypyrrolidine-1,2-dicarboxylate
SMILES [?]:
CC(C)(C)OC(=O)N1CC(CC1C(=O)OC)O
InChi [?]:
InChI=1/C11H19NO5/c1-11(2,3)17-10(15)12-6-7(13)5-8(12)9(14)16-4/h7-8,13H,5-6H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,11,9,10,12,13,6,2,8,17,14,7,15,5/E:(1,2,3)/rA:17cCCCCOCONCCCCCOOCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s15;s10;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H19NO5 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 21.712 |
Area: | 0.0 |
Solvation: | 21.712 |
Coulombic: | 0.0 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 245.272 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.61 |
LogP (Chemaxon): | 0.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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