Chemical ID: 3966464

c1cc(c(cc1C(C(C(=O)O)N)O)O)O
Chemical ID:
3966464
Name [?]:
2-amino-3-(3,4-dihydroxyphenyl)-3-hydroxy-propanoic acid
SMILES [?]:
c1cc(c(cc1C(C(C(=O)O)N)O)O)O
InChi [?]:
InChI=1/C9H11NO5/c10-7(9(14)15)8(13)4-1-2-5(11)6(12)3-4/h1-3,7-8,11-13H,10H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,8,7,9,12,15,14,13,10,11/E:(14,15)/rA:15cCCCCCCCCCOONOOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s7;s4;s3;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:4.1063
Area:375.53
Solvation:-5.28195
Coulombic:-87.306
Bond Count [?]
All:15
Single:11
Double:4
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:213.187
H-Bond Donors:6
H-Bond Acceptors:6
XLogP:-2.53
LogP (Chemaxon):-2.34

Name Annotations

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Descriptor Annotations

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