Chemical ID: 3965245

CC(=O)NC(CCC(=O)O)C(=O)O
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

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