Chemical ID: 7066384

CCCNC(=O)C1CCC(C1(C)C)(C)C(=O)O
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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