Chemical ID: 4727756

CCOC(=O)CCc1cc(c(c(c1)N)O)N
Chemical ID:
4727756
Name [?]:
ethyl 3-(3,5-diamino-4-hydroxy-phenyl)propanoate
SMILES [?]:
CCOC(=O)CCc1cc(c(c(c1)N)O)N
InChi [?]:
InChI=1/C11H16N2O3/c1-2-16-10(14)4-3-7-5-8(12)11(15)9(13)6-7/h5-6,15H,2-4,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,9,13,8,10,12,4,11,16,14,5,15,3/E:(5,6)(8,9)(12,13)/rA:16nCCOCOCCCCCCCCNON/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s12;s11;s10;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H16N2O3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.57034
Area:426.536
Solvation:-3.09306
Coulombic:-67.1766
Bond Count [?]
All:16
Single:12
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:224.256
H-Bond Donors:5
H-Bond Acceptors:5
XLogP:0.97
LogP (Chemaxon):0.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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