Chemical ID: 5298043

CC(=O)NC(CC(=O)[O-])C(=O)[O-]
Chemical ID:
5298043
Name [?]:
2-acetamidobutanedioate
SMILES [?]:
CC(=O)NC(CC(=O)[O-])C(=O)[O-]
InChi [?]:
InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/p-2
InChi Info:
AuxInfo=1/1/N:1,6,2,5,7,10,4,3,8,9,11,12/E:(9,10)(11,12)/rA:12cCCONCCCOO-COO-/rB:s1;d2;s2;s4;s5;s6;d7;s7;s5;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H7NO5-2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:1
ZAP Information [?]
Total:-107.365
Area:332.917
Solvation:-115.688
Coulombic:13.1695
Bond Count [?]
All:11
Single:8
Double:3
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:173.124
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:-2.23
LogP (Chemaxon):-1.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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