Chemical ID: 4575078

Cc1cc(ccc1CC(C(=O)O)N)O
Chemical ID:
4575078
Name [?]:
2-amino-3-(4-hydroxy-2-methyl-phenyl)-propanoic acid
SMILES [?]:
Cc1cc(ccc1CC(C(=O)O)N)O
InChi [?]:
InChI=1/C10H13NO3/c1-6-4-8(12)3-2-7(6)5-9(11)10(13)14/h2-4,9,12H,5,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,6,5,3,8,2,7,4,9,10,13,14,11,12/E:(13,14)/rA:14cCCCCCCCCCCOONO/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;d10;s10;s9;s4;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.31281
Area:365.446
Solvation:-2.82335
Coulombic:-55.284
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:195.215
H-Bond Donors:4
H-Bond Acceptors:4
XLogP:-1.35
LogP (Chemaxon):-0.96

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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