Chemical ID: 6487516

CC(C)(C)Oc1ccc(cc1)CC(C(=O)O)N
Chemical ID:
6487516
Name [?]:
2-amino-3-(4-tert-butoxyphenyl)-propanoic acid
SMILES [?]:
CC(C)(C)Oc1ccc(cc1)CC(C(=O)O)N
InChi [?]:
InChI=1/C13H19NO3/c1-13(2,3)17-10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,8,10,7,11,12,9,6,13,14,2,17,15,16,5/E:(1,2,3)(4,5)(6,7)(15,16)/rA:17cCCCCOCCCCCCCCCOON/rB:s1;s2;s2;s2;s5;s6;d7;s8;d9;d6s10;s9;s12;s13;d14;s14;s13;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:7.66314
Area:427.199
Solvation:-3.01683
Coulombic:-47.4546
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:237.295
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:-0.16
LogP (Chemaxon):-0.56

Name Annotations

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Descriptor Annotations

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