Chemical ID: 6680547

C(C(C(=O)O)N)C(=O)[O-]
Chemical ID:
6680547
Name [?]:
3-amino-4-hydroxy-4-oxo-butanoate
SMILES [?]:
C(C(C(=O)O)N)C(=O)[O-]
InChi [?]:
InChI=1/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,7,3,6,8,9,4,5/E:(6,7)(8,9)/rA:9cCCCOONCOO-/rB:s1;s2;d3;s3;s2;s1;d7;s7;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C4H6NO4-
All Atoms:9
Heavy Atoms:9
Chiral Atoms:1
ZAP Information [?]
Total:-36.865
Area:279.53
Solvation:-43.8533
Coulombic:-36.9061
Bond Count [?]
All:8
Single:6
Double:2
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:132.095
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:-4.19
LogP (Chemaxon):-3.48

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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