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Chemical ID: 4774680
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
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Experimental Annotations
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Descriptor Annotations
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