Chemical ID: 6047935

C1CC(C[NH2+]C1)CC(=O)O
Chemical ID:
6047935
Name [?]:
2-(3,4,5,6-tetrahydro-2H-pyridin-3-yl)acetic acid
SMILES [?]:
C1CC(C[NH2+]C1)CC(=O)O
InChi [?]:
InChI=1/C7H13NO2/c9-7(10)4-6-2-1-3-8-5-6/h6,8H,1-5H2,(H,9,10)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,7,4,3,8,5,9,10/E:(9,10)/rA:10cCCCCN+CCCOO/rB:s1;s2;s3;s4;s1s5;s3;s7;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H14NO2+
All Atoms:10
Heavy Atoms:10
Chiral Atoms:1
ZAP Information [?]
Total:-27.5594
Area:296.653
Solvation:-34.9758
Coulombic:9.47542
Bond Count [?]
All:10
Single:9
Double:1
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:144.192
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.1
LogP (Chemaxon):-2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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