Chemical ID: 6688180

CCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
Chemical ID:
6688180
Name [?]:
2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid
SMILES [?]:
CCCC(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
InChi [?]:
InChI=1/C20H21NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h3-6,8-11,17-18H,2,7,12H2,1H3,(H,21,24)(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,17,24,16,23,3,18,25,15,22,12,19,20,14,21,13,4,5,9,8,6,7,10,11/E:(3,4)(5,6)(8,9)(10,11)(13,14)(15,16)(22,23)/rA:25cCCCCCOONCOOCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H21NO4
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:11.1272
Area:564.413
Solvation:-2.98311
Coulombic:-63.5034
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:339.385
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.99
LogP (Chemaxon):4.07

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Descriptor Annotations

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