Chemical ID: 7086833

c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCC(CC4)CCC(=O)O
Chemical ID:
7086833
Name [?]:
3-[1-(9H-fluoren-9-ylmethoxycarbonyl)-4-piperidyl]propanoic acid
SMILES [?]:
c1ccc2c(c1)-c3ccccc3C2COC(=O)N4CCC(CC4)CCC(=O)O
InChi [?]:
InChI=1/C23H25NO4/c25-22(26)10-9-16-11-13-24(14-12-16)23(27)28-15-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,16,21H,9-15H2,(H,25,26)
InChi Info:
AuxInfo=1/1/N:1,9,2,10,6,8,3,11,24,25,20,22,19,23,14,21,5,7,4,12,13,26,16,18,27,28,17,15/E:(1,2)(3,4)(5,6)(7,8)(11,12)(13,14)(17,18)(19,20)(25,26)/rA:28nCCCCCCCCCCCCCCOCONCCCCCCCCOO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s13;s14;s15;d16;s16;s18;s19;s20;s21;s18s22;s21;s24;s25;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H25NO4
All Atoms:53
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:11.9354
Area:607.2
Solvation:-3.2446
Coulombic:-57.934
Bond Count [?]
All:31
Single:23
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:379.449
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.93
LogP (Chemaxon):3.98

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Descriptor Annotations

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