Chemical ID: 3963672

CN1CCCC(C1)C(=O)O
Chemical ID:
3963672
Name [?]:
1-methylpiperidine-3-carboxylic acid
SMILES [?]:
CN1CCCC(C1)C(=O)O
InChi [?]:
InChI=1/C7H13NO2/c1-8-4-2-3-6(5-8)7(9)10/h6H,2-5H2,1H3,(H,9,10)
InChi Info:
AuxInfo=1/1/N:1,4,5,3,7,6,8,2,9,10/E:(9,10)/rA:10cCNCCCCCCOO/rB:s1;s2;s3;s4;s5;s2s6;s6;d8;s8;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H13NO2
All Atoms:10
Heavy Atoms:10
Chiral Atoms:2
ZAP Information [?]
Total:5.53574
Area:295.529
Solvation:-1.8525
Coulombic:-30.7979
Bond Count [?]
All:10
Single:9
Double:1
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:143.184
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:-0.02
LogP (Chemaxon):-2.31

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Experimental Annotations

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Descriptor Annotations

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