Chemical ID: 6687853

CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)O
Chemical ID:
6687853
Name [?]:
2-(4-ethyl-2,3-dioxo-piperazin-1-yl)carbonylamino-2-phenyl-acetic acid
SMILES [?]:
CCN1CCN(C(=O)C1=O)C(=O)NC(c2ccccc2)C(=O)O
InChi [?]:
InChI=1/C15H17N3O5/c1-2-17-8-9-18(13(20)12(17)19)15(23)16-11(14(21)22)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,16,23)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,18,17,19,16,20,4,5,15,14,9,7,21,11,13,3,6,10,8,22,23,12/E:(4,5)(6,7)(21,22)/rA:23cCCNCCNCOCOCONCCCCCCCCOO/rB:s1;s2;s3;s4;s5;s6;d7;s3s7;d9;s6;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s14;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O5
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:7.5394
Area:510.251
Solvation:-5.21688
Coulombic:-86.0914
Bond Count [?]
All:24
Single:17
Double:7
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:319.313
H-Bond Donors:2
H-Bond Acceptors:8
XLogP:-0.14
LogP (Chemaxon):0.42

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