Chemical ID: 4718584

CC(C)c1ccc(cc1)C(CC(=O)O)N
Chemical ID:
4718584
Name [?]:
3-amino-3-(4-isopropylphenyl)-propanoic acid
SMILES [?]:
CC(C)c1ccc(cc1)C(CC(=O)O)N
InChi [?]:
InChI=1/C12H17NO2/c1-8(2)9-3-5-10(6-4-9)11(13)7-12(14)15/h3-6,8,11H,7,13H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,6,8,11,2,4,7,10,12,15,13,14/E:(1,2)(3,4)(5,6)(14,15)/rA:15cCCCCCCCCCCCCOON/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s10;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.83318
Area:401.868
Solvation:-2.21353
Coulombic:-39.4825
Bond Count [?]
All:15
Single:11
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:207.269
H-Bond Donors:3
H-Bond Acceptors:3
XLogP:2.19
LogP (Chemaxon):-0.14

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