Chemical ID: 4278191

c1ccc(cc1)CN(Cc2ccccc2)C(=O)CCCC(=O)O
Chemical ID:
4278191
Name [?]:
5-dibenzylamino-5-oxo-pentanoic acid
SMILES [?]:
c1ccc(cc1)CN(Cc2ccccc2)C(=O)CCCC(=O)O
InChi [?]:
InChI=1/C19H21NO3/c21-18(12-7-13-19(22)23)20(14-16-8-3-1-4-9-16)15-17-10-5-2-6-11-17/h1-6,8-11H,7,12-15H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,12,14,19,3,5,11,15,18,20,7,9,4,10,16,21,8,17,22,23/E:(1,2)(3,4,5,6)(8,9,10,11)(14,15)(16,17)(22,23)/rA:23nCCCCCCCNCCCCCCCCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21NO3
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.50691
Area:537.563
Solvation:-3.93217
Coulombic:-43.6189
Bond Count [?]
All:24
Single:16
Double:8
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.375
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.0
LogP (Chemaxon):3.2

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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