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Chemical ID: 6687853
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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