Chemical ID: 7044490

CC1(C(CCC1(C)C(=O)O)(C)C(=O)N2CCCCCC2)C
Chemical ID:
7044490
Name [?]:
3-azepan-1-ylcarbonyl-1,2,2,3-tetramethyl-cyclopentane-1-carboxylic acid
SMILES [?]:
CC1(C(CCC1(C)C(=O)O)(C)C(=O)N2CCCCCC2)C
InChi [?]:
InChI=1/C17H29NO3/c1-15(2)16(3,9-10-17(15,4)14(20)21)13(19)18-11-7-5-6-8-12-18/h5-12H2,1-4H3,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,21,11,7,17,18,16,19,4,5,15,20,12,8,2,3,6,14,13,9,10/E:(1,2)(5,6)(7,8)(11,12)(20,21)/rA:21cCCCCCCCCOOCCONCCCCCCC/rB:s1;s2;s3;s4;s2s5;s6;s6;d8;s8;s3;s3;d12;s12;s14;s15;s16;s17;s18;s14s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H29NO3
All Atoms:50
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:8.82342
Area:445.271
Solvation:-2.30836
Coulombic:-44.1517
Bond Count [?]
All:22
Single:20
Double:2
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.417
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.56
LogP (Chemaxon):3.48

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