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Chemical ID: 7066384
Chemical ID:
7066384
Name [?]:
1,2,2-trimethyl-3-(propylcarbamoyl)cyclopentane-1-carboxylic acid
SMILES [?]:
CCCNC(=O)C1CCC(C1(C)C)(C)C(=O)O
InChi [?]:
InChI=1/C13H23NO3/c1-5-8-14-10(15)9-6-7-13(4,11(16)17)12(9,2)3/h9H,5-8H2,1-4H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,12,13,14,2,8,9,3,7,5,15,11,10,4,6,16,17/E:(2,3)(16,17)/rA:17cCCCNCOCCCCCCCCCOO/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;s11;s10;s10;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H23NO3 |
All Atoms: | 40 |
Heavy Atoms: | 17 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.87908 |
Area: | 422.252 |
Solvation: | -2.67723 |
Coulombic: | -47.899 |
Bond Count [?]
All: | 17 |
Single: | 15 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 241.327 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.78 |
LogP (Chemaxon): | 2.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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