Chemical ID: 6048641

CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C
Chemical ID:
6048641
Name [?]:
ethyl tert-butyl pyrrolidine-1,3-dicarboxylate
SMILES [?]:
CCOC(=O)C1CCN(C1)C(=O)OC(C)(C)C
InChi [?]:
InChI=1/C12H21NO4/c1-5-16-10(14)9-6-7-13(8-9)11(15)17-12(2,3)4/h9H,5-8H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,15,16,17,2,7,8,10,6,4,11,14,9,5,12,3,13/E:(2,3,4)/rA:17cCCOCOCCCNCCOOCCCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s9;d11;s11;s13;s14;s14;s14;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:8.83392
Area:448.627
Solvation:-2.38176
Coulombic:-47.3558
Bond Count [?]
All:17
Single:15
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:243.299
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:1.62
LogP (Chemaxon):1.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue