Chemical ID: 7004781

CC1(C2CCC1(C(C2)NC(=O)CCC(=O)[O-])C)C
Chemical ID:
7004781
Name [?]:
4-oxo-4-(1,7,7-trimethylnorbornan-2-yl)amino-butanoate
SMILES [?]:
CC1(C2CCC1(C(C2)NC(=O)CCC(=O)[O-])C)C
InChi [?]:
InChI=1/C14H23NO3/c1-13(2)9-6-7-14(13,3)10(8-9)15-11(16)4-5-12(17)18/h9-10H,4-8H2,1-3H3,(H,15,16)(H,17,18)/p-1
InChi Info:
AuxInfo=1/1/N:1,18,17,12,13,4,5,8,3,7,10,14,2,6,9,11,15,16/E:(1,2)(17,18)/rA:18cCCCCCCCCNCOCCCOO-CC/rB:s1;s2;s3;s4;s2s5;s6;s3s7;s7;s9;d10;s10;s12;s13;d14;s14;s6;s2;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H22NO3-
All Atoms:40
Heavy Atoms:18
Chiral Atoms:3
ZAP Information [?]
Total:-32.8206
Area:435.416
Solvation:-43.706
Coulombic:-19.8606
Bond Count [?]
All:19
Single:17
Double:2
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:252.329
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.83
LogP (Chemaxon):1.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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