Chemical ID: 6681335

CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OCc2ccccc2
Chemical ID:
6681335
Name [?]:
4-benzyloxy-1-tert-butoxycarbonyl-pyrrolidine-2-carboxylic acid
SMILES [?]:
CC(C)(C)OC(=O)N1CC(CC1C(=O)O)OCc2ccccc2
InChi [?]:
InChI=1/C17H23NO5/c1-17(2,3)23-16(21)18-10-13(9-14(18)15(19)20)22-11-12-7-5-4-6-8-12/h4-8,13-14H,9-11H2,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,4,21,20,22,19,23,11,9,17,18,10,12,13,6,2,8,14,15,7,16,5/E:(1,2,3)(5,6)(7,8)(19,20)/rA:23cCCCCOCONCCCCCOOOCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s8s11;s12;d13;s13;s10;s16;s17;s18;d19;s20;d21;d18s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23NO5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:2
ZAP Information [?]
Total:9.0751
Area:533.523
Solvation:-4.26299
Coulombic:-65.1614
Bond Count [?]
All:24
Single:19
Double:5
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:321.368
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.51
LogP (Chemaxon):2.21

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