Chemical ID: 6680549

C(C(C(=O)[O-])N)C(=O)O
Chemical ID:
6680549
Name [?]:
2-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:9cCCCOO-NCOO/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:-34.6753
Area:279.077
Solvation:-41.6523
Coulombic:-38.6591
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:-2.02
LogP (Chemaxon):-3.48

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Descriptor Annotations

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