Chemical ID: 6699366

COC(=O)CC[NH+]1CCCCC1
Chemical ID:
6699366
Name [?]:
methyl 3-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)propanoate
SMILES [?]:
COC(=O)CC[NH+]1CCCCC1
InChi [?]:
InChI=1/C9H17NO2/c1-12-9(11)5-8-10-6-3-2-4-7-10/h2-8H2,1H3/p+1
InChi Info:
AuxInfo=1/1/N:1,10,9,11,5,8,12,6,3,7,4,2/E:(3,4)(6,7)/rA:12nCOCOCCN+CCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;s10;s7s11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H18NO2+
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-23.2086
Area:352.47
Solvation:-32.0203
Coulombic:13.2529
Bond Count [?]
All:12
Single:11
Double:1
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:172.245
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.79
LogP (Chemaxon):0.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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