Chemical ID: 5114792

CC1(C2CCC1(C(=O)N(C2=O)CC(=O)O)C)C
Chemical ID:
5114792
Name [?]:
2-(5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]oct-3-yl)acetic acid
SMILES [?]:
CC1(C2CCC1(C(=O)N(C2=O)CC(=O)O)C)C
InChi [?]:
InChI=1/C12H17NO4/c1-11(2)7-4-5-12(11,3)10(17)13(9(7)16)6-8(14)15/h7H,4-6H2,1-3H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,16,4,5,12,3,13,10,7,2,6,9,14,15,11,8/E:(1,2)(14,15)/rA:17cCCCCCCCONCOCCOOCC/rB:s1;s2;s3;s4;s2s5;s6;d7;s7;s3s9;d10;s9;s12;d13;s13;s6;s2;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:6.40173
Area:380.653
Solvation:-3.11459
Coulombic:-51.1202
Bond Count [?]
All:18
Single:15
Double:3
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:239.268
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.47
LogP (Chemaxon):1.16

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