Chemical ID: 3967248

c1cc(c(cc1CC(C(=O)O)N)O)O
Chemical ID:
3967248
Name [?]:
2-amino-3-(3,4-dihydroxyphenyl)-propanoic acid
SMILES [?]:
c1cc(c(cc1CC(C(=O)O)N)O)O
InChi [?]:
InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,7,5,6,8,3,4,9,12,14,13,10,11/E:(13,14)/rA:14cCCCCCCCCCOONOO/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;d9;s9;s8;s4;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H11NO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.12465
Area:367.801
Solvation:-4.07038
Coulombic:-70.8739
Bond Count [?]
All:14
Single:10
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:197.188
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:-1.76
LogP (Chemaxon):-1.71

Name Annotations

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Descriptor Annotations

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