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Chemical ID: 5058639
Chemical ID:
5058639
Name [?]:
2-amino-4-(ethoxycarbonylmethylamino)-4-oxo-butanoic acid
SMILES [?]:
CCOC(=O)CNC(=O)CC(C(=O)O)N
InChi [?]:
InChI=1/C8H14N2O5/c1-2-15-7(12)4-10-6(11)3-5(9)8(13)14/h5H,2-4,9H2,1H3,(H,10,11)(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,10,6,11,8,4,12,15,7,9,5,13,14,3/E:(13,14)/rA:15cCCOCOCNCOCCCOON/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;s11;d12;s12;s11;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H14N2O5 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.53277 |
Area: | 420.081 |
Solvation: | -3.96925 |
Coulombic: | -76.0619 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 218.207 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 7 |
XLogP: | -3.79 |
LogP (Chemaxon): | -4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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