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Chemical ID: 3965245
Chemical ID:
3965245
Name [?]:
2-acetamidopentanedioic acid
SMILES [?]:
CC(=O)NC(CCC(=O)O)C(=O)O
InChi [?]:
InChI=1/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,7,2,5,8,11,4,3,9,10,12,13/E:(10,11)(12,13)/rA:13cCCONCCCCOOCOO/rB:s1;d2;s2;s4;s5;s6;s7;d8;s8;s5;d11;s11;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H11NO5 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 4.9638 |
Area: | 368.617 |
Solvation: | -4.25162 |
Coulombic: | -70.4809 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 189.166 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | -0.91 |
LogP (Chemaxon): | -1.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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