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Chemical ID: 6047935
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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