Chemical ID: 5837873

c1ccc(cc1)CCNC(=O)CCCC(=O)O
Chemical ID:
5837873
Name [?]:
5-oxo-5-phenethylamino-pentanoic acid
SMILES [?]:
c1ccc(cc1)CCNC(=O)CCCC(=O)O
InChi [?]:
InChI=1/C13H17NO3/c15-12(7-4-8-13(16)17)14-10-9-11-5-2-1-3-6-11/h1-3,5-6H,4,7-10H2,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,3,5,12,14,7,8,4,10,15,9,11,16,17/E:(2,3)(5,6)(16,17)/rA:17nCCCCCCCCNCOCCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;s14;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H17NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:7.9887
Area:461.463
Solvation:-3.54786
Coulombic:-46.4651
Bond Count [?]
All:17
Single:12
Double:5
Rotors:8
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:235.279
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.31
LogP (Chemaxon):1.43

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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