Chemical ID: 7044477

CCCNC(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
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

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Descriptor Annotations

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