Chemical ID: 7044476

CCNC(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
Chemical ID:
7044476
Name [?]:
3-(ethylcarbamoyl)-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CCNC(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
InChi [?]:
InChI=1/C13H23NO3/c1-6-14-9(15)12(4)7-8-13(5,10(16)17)11(12,2)3/h6-8H2,1-5H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,11,12,17,13,2,7,8,4,14,10,6,9,3,5,15,16/E:(2,3)(16,17)/rA:17cCCNCOCCCCCCCCCOOC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s6s9;s10;s10;s9;s9;d14;s14;s6;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H23NO3
All Atoms:40
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:7.52716
Area:388.573
Solvation:-2.18717
Coulombic:-48.5091
Bond Count [?]
All:17
Single:15
Double:2
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:241.327
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.62
LogP (Chemaxon):2.46

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Descriptor Annotations

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