Chemical ID: 7066383

CCNC(=O)C1CCC(C1(C)C)(C)C(=O)O
Chemical ID:
7066383
Name [?]:
3-(ethylcarbamoyl)-1,2,2-trimethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CCNC(=O)C1CCC(C1(C)C)(C)C(=O)O
InChi [?]:
InChI=1/C12H21NO3/c1-5-13-9(14)8-6-7-12(4,10(15)16)11(8,2)3/h8H,5-7H2,1-4H3,(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,11,12,13,2,7,8,6,4,14,10,9,3,5,15,16/E:(2,3)(15,16)/rA:16cCCNCOCCCCCCCCCOO/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s10;s10;s9;s9;d14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H21NO3
All Atoms:37
Heavy Atoms:16
Chiral Atoms:2
ZAP Information [?]
Total:7.26289
Area:396.097
Solvation:-2.63953
Coulombic:-47.4996
Bond Count [?]
All:16
Single:14
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:227.3
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.42
LogP (Chemaxon):1.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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