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Chemical ID: 6688304
Chemical ID:
6688304
Name [?]:
2-amino-5-(1-carboxyethylamino)-5-oxo-pentanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)CCC(C(=O)O)N
InChi [?]:
InChI=1/C8H14N2O5/c1-4(7(12)13)10-6(11)3-2-5(9)8(14)15/h4-5H,2-3,9H2,1H3,(H,10,11)(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,9,2,11,7,3,12,15,6,8,4,5,13,14/E:(12,13)(14,15)/rA:15cCCCOONCOCCCCOON/rB:s1;s2;d3;s3;s2;s6;d7;s7;s9;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N2O5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.62347 |
Area: | 414.275 |
Solvation: | -3.7334 |
Coulombic: | -85.0125 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 218.207 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -3.65 |
LogP (Chemaxon): | -4.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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