Chemical ID: 5097675

CC(C)(C)c1ccc(c(c1)C(C(=O)O)N)OC
Chemical ID:
5097675
Name [?]:
2-amino-2-(2-methoxy-5-tert-butyl-phenyl)-acetic acid
SMILES [?]:
CC(C)(C)c1ccc(c(c1)C(C(=O)O)N)OC
InChi [?]:
InChI=1/C13H19NO3/c1-13(2,3)8-5-6-10(17-4)9(7-8)11(14)12(15)16/h5-7,11H,14H2,1-4H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,6,7,10,5,9,8,11,12,2,15,13,14,16/E:(1,2,3)(15,16)/rA:17cCCCCCCCCCCCCOONOC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s11;s8;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.54804
Area:416.855
Solvation:-2.87334
Coulombic:-48.0082
Bond Count [?]
All:17
Single:13
Double:4
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.04
LogP (Chemaxon):-0.01

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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