Chemical ID: 6691502

C#CCC(C(=O)O)N
Chemical ID:
6691502
Name [?]:
2-aminopent-4-ynoic acid
SMILES [?]:
C#CCC(C(=O)O)N
InChi [?]:
InChI=1/C5H7NO2/c1-2-3-4(6)5(7)8/h1,4H,3,6H2,(H,7,8)
InChi Info:
AuxInfo=1/1/N:1,2,3,4,5,8,6,7/E:(7,8)/rA:8cCCCCCOON/rB:t1;s2;s3;s4;d5;s5;s4;/rC:;;;;;;;;

Chemical Details

Atom Count
Formula:C5H7NO2
All Atoms:8
Heavy Atoms:8
Chiral Atoms:1
ZAP Information [?]
Total:4.84076
Area:274.732
Solvation:-2.02755
Coulombic:-40.5328
Bond Count [?]
All:7
Single:5
Double:1
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:113.115
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:-2.82
LogP (Chemaxon):-2.65

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Descriptor Annotations

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