Chemical ID: 5008462

CC(C(=O)O)NC(=O)C=C
Chemical ID:
5008462
Name [?]:
2-prop-2-enoylaminopropanoic acid
SMILES [?]:
CC(C(=O)O)NC(=O)C=C
InChi [?]:
InChI=1/C6H9NO3/c1-3-5(8)7-4(2)6(9)10/h3-4H,1H2,2H3,(H,7,8)(H,9,10)
InChi Info:
AuxInfo=1/1/N:10,1,9,2,7,3,6,8,4,5/E:(9,10)/rA:10cCCCOONCOCC/rB:s1;s2;d3;s3;s2;s6;d7;s7;d9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H9NO3
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:5.531
Area:310.452
Solvation:-2.2303
Coulombic:-48.9819
Bond Count [?]
All:9
Single:6
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:143.141
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-0.09
LogP (Chemaxon):0.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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