Chemical ID: 6670155

Cc1ccc(c(c1)CC(C(=O)O)N)O
Chemical ID:
6670155
Name [?]:
2-amino-3-(2-hydroxy-5-methyl-phenyl)-propanoic acid
SMILES [?]:
Cc1ccc(c(c1)CC(C(=O)O)N)O
InChi [?]:
InChI=1/C10H13NO3/c1-6-2-3-9(12)7(4-6)5-8(11)10(13)14/h2-4,8,12H,5,11H2,1H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,4,7,8,2,6,9,5,10,13,14,11,12/E:(13,14)/rA:14cCCCCCCCCCCOONO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;d10;s10;s9;s5;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:6.20357
Area:363.749
Solvation:-2.89015
Coulombic:-54.9653
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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Descriptor Annotations

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