Chemical ID: 4122252

c1cc(ccc1CN2CCCCC2)NC(=O)CCC(=O)O
Chemical ID:
4122252
Name [?]:
4-oxo-4-[4-(1-piperidylmethyl)phenyl]amino-butanoic acid
SMILES [?]:
c1cc(ccc1CN2CCCCC2)NC(=O)CCC(=O)O
InChi [?]:
InChI=1/C16H22N2O3/c19-15(8-9-16(20)21)17-14-6-4-13(5-7-14)12-18-10-2-1-3-11-18/h4-7H,1-3,8-12H2,(H,17,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:11,10,12,1,5,2,4,17,18,9,13,7,6,3,15,19,14,8,16,20,21/E:(2,3)(4,5)(6,7)(10,11)(20,21)/rA:21nCCCCCCCNCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s3;s14;d15;s15;s17;s18;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.27131
Area:508.653
Solvation:-3.44501
Coulombic:-49.9243
Bond Count [?]
All:22
Single:17
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:290.358
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:1.26
LogP (Chemaxon):-2.54

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Descriptor Annotations

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