Chemical ID: 4123629

CC(C)(C)c1cc(c(o1)C(=O)O)CN
Chemical ID:
4123629
Name [?]:
3-(aminomethyl)-5-tert-butyl-furan-2-carboxylic acid
SMILES [?]:
CC(C)(C)c1cc(c(o1)C(=O)O)CN
InChi [?]:
InChI=1/C10H15NO3/c1-10(2,3)7-4-6(5-11)8(14-7)9(12)13/h4H,5,11H2,1-3H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,13,7,5,8,10,2,14,11,12,9/E:(1,2,3)(12,13)/rA:14nCCCCCCCCOCOOCN/rB:s1;s2;s2;s2;d5;s6;d7;s5s8;s8;d10;s10;s7;s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H15NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.00204
Area:370.858
Solvation:-2.26941
Coulombic:-48.5984
Bond Count [?]
All:14
Single:11
Double:3
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:197.231
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:0.36
LogP (Chemaxon):-1.38

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Descriptor Annotations

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