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Chemical ID: 5524472

Chemical ID:

5524472

Name [?]:

3-(3,3,5-trimethyl-7-azabicyclo[3.2.1]oct-7-yl)propanoic acid

SMILES [?]:

CC1(CC2CC(C1)(CN2CCC(=O)O)C)C

InChi [?]:

InChI=1/C13H23NO2/c1-12(2)6-10-7-13(3,8-12)9-14(10)5-4-11(15)16/h10H,4-9H2,1-3H3,(H,15,16)

InChi Info:

AuxInfo=1/1/N:1,16,15,11,10,3,5,7,8,4,12,2,6,9,13,14/E:(1,2)(15,16)/rA:16cCCCCCCCCNCCCOOCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4s8;s9;s10;s11;d12;s12;s6;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₃H₂₃NO₂
All Atoms:	16
Heavy Atoms:	16
Chiral Atoms:	3

ZAP Information [?]

Total:	8.38399
Area:	403.392
Solvation:	-1.7008
Coulombic:	-31.6824

Bond Count [?]

All:	17
Single:	16
Double:	1
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	225.327
H-Bond Donors:	1
H-Bond Acceptors:	3
XLogP:	2.39
LogP (Chemaxon):	-0.41

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value