Chemical ID: 5837499

c1ccc(cc1)CCNC(=O)CCC(=O)O
Chemical ID:
5837499
Name [?]:
4-oxo-4-phenethylamino-butanoic acid
SMILES [?]:
c1ccc(cc1)CCNC(=O)CCC(=O)O
InChi [?]:
InChI=1/C12H15NO3/c14-11(6-7-12(15)16)13-9-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,12,13,7,8,4,10,14,9,11,15,16/E:(2,3)(4,5)(15,16)/rA:16nCCCCCCCCNCOCCCOO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;s13;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.96169
Area:434.709
Solvation:-2.90603
Coulombic:-46.5944
Bond Count [?]
All:16
Single:11
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:221.252
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:0.95
LogP (Chemaxon):1.03

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Descriptor Annotations

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