Chemical ID: 5758530

CC(C)(C)c1ccc(cc1)C(CC(=O)O)N
Chemical ID:
5758530
Name [?]:
3-amino-3-(4-tert-butylphenyl)-propanoic acid
SMILES [?]:
CC(C)(C)c1ccc(cc1)C(CC(=O)O)N
InChi [?]:
InChI=1/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)11(14)8-12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,9,6,10,12,8,5,11,13,2,16,14,15/E:(1,2,3)(4,5)(6,7)(15,16)/rA:16cCCCCCCCCCCCCCOON/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s11;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H19NO2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.02624
Area:415.915
Solvation:-2.37164
Coulombic:-39.4679
Bond Count [?]
All:16
Single:12
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:221.296
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.6
LogP (Chemaxon):0.29

Name Annotations

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Descriptor Annotations

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