Chemical ID: 4774680

c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCC4C(=O)O
Chemical ID:
4774680
Name [?]:
1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCCC4C(=O)O
InChi [?]:
InChI=1/C20H19NO4/c22-19(23)18-10-5-11-21(18)20(24)25-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17-18H,5,10-12H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,20,6,8,3,11,21,19,14,5,7,4,12,13,22,23,16,18,24,25,17,15/E:(1,2)(3,4)(6,7)(8,9)(13,14)(15,16)(22,23)/rA:25cCCCCCCCCCCCCCCOCONCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s18s21;s22;d23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.0962
Area:534.256
Solvation:-3.26024
Coulombic:-58.4972
Bond Count [?]
All:28
Single:20
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:337.369
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.29
LogP (Chemaxon):3.43

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