Chemical ID: 7044474

CCCCNC(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
Chemical ID:
7044474
Name [?]:
3-(butylcarbamoyl)-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CCCCNC(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
InChi [?]:
InChI=1/C15H27NO3/c1-6-7-10-16-11(17)14(4)8-9-15(5,12(18)19)13(14,2)3/h6-10H2,1-5H3,(H,16,17)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,13,14,19,15,2,3,9,10,4,6,16,12,8,11,5,7,17,18/E:(2,3)(18,19)/rA:19cCCCCNCOCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;d6;s6;s8;s9;s10;s8s11;s12;s12;s11;s11;d16;s16;s8;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H27NO3
All Atoms:46
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:8.84898
Area:441.216
Solvation:-2.18141
Coulombic:-49.2247
Bond Count [?]
All:19
Single:17
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.38
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.55
LogP (Chemaxon):3.32

Name Annotations

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Descriptor Annotations

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