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Chemical ID: 7044477
Chemical ID:
7044477
Name [?]:
1,2,2,3-tetramethyl-3-(propylcarbamoyl)cyclopentane-1-carboxylic acid
SMILES [?]:
CCCNC(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
InChi [?]:
InChI=1/C14H25NO3/c1-6-9-15-10(16)13(4)7-8-14(5,11(17)18)12(13,2)3/h6-9H2,1-5H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,12,13,18,14,2,8,9,3,5,15,11,7,10,4,6,16,17/E:(2,3)(17,18)/rA:18cCCCNCOCCCCCCCCCOOC/rB:s1;s2;s3;s4;d5;s5;s7;s8;s9;s7s10;s11;s11;s10;s10;d15;s15;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H25NO3 |
All Atoms: | 43 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.15083 |
Area: | 414.688 |
Solvation: | -2.21638 |
Coulombic: | -48.9123 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 255.353 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 1.98 |
LogP (Chemaxon): | 2.93 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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