Chemical ID: 7044483

CCCN(CCC)C(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
Chemical ID:
7044483
Name [?]:
3-(dipropylcarbamoyl)-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CCCN(CCC)C(=O)C1(CCC(C1(C)C)(C)C(=O)O)C
InChi [?]:
InChI=1/C17H31NO3/c1-7-11-18(12-8-2)13(19)16(5)9-10-17(6,14(20)21)15(16,3)4/h7-12H2,1-6H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,7,15,16,21,17,2,6,11,12,3,5,8,18,14,10,13,4,9,19,20/E:(1,2)(3,4)(7,8)(11,12)(20,21)/rA:21cCCCNCCCCOCCCCCCCCCOOC/rB:s1;s2;s3;s4;s5;s6;s4;d8;s8;s10;s11;s12;s10s13;s14;s14;s13;s13;d18;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H31NO3
All Atoms:52
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:9.3045
Area:479.515
Solvation:-2.68337
Coulombic:-44.3304
Bond Count [?]
All:21
Single:19
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:297.433
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.9
LogP (Chemaxon):3.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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