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Chemical ID: 6638111
Chemical ID:
6638111
Name [?]:
2-amino-5-(1-naphthylamino)-5-oxo-pentanoic acid
SMILES [?]:
c1ccc2c(c1)cccc2NC(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C15H16N2O3/c16-12(15(19)20)8-9-14(18)17-13-7-3-5-10-4-1-2-6-11(10)13/h1-7,12H,8-9,16H2,(H,17,18)(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,8,6,7,3,9,15,14,5,4,16,10,12,17,20,11,13,18,19/E:(19,20)/rA:20cCCCCCCCCCCNCOCCCCOON/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;d12;s12;s14;s15;s16;d17;s17;s16;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H16N2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.48627 |
Area: | 472.922 |
Solvation: | -3.33677 |
Coulombic: | -59.7766 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 272.299 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 5 |
XLogP: | -0.73 |
LogP (Chemaxon): | -0.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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