Chemical ID: 4268213

COc1cccc(c1)C(CC(=O)O)N
Chemical ID:
4268213
Name [?]:
3-amino-3-(3-methoxyphenyl)-propanoic acid
SMILES [?]:
COc1cccc(c1)C(CC(=O)O)N
InChi [?]:
InChI=1/C10H13NO3/c1-14-8-4-2-3-7(5-8)9(11)6-10(12)13/h2-5,9H,6,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,5,6,4,8,10,7,3,9,11,14,12,13,2/E:(12,13)/rA:14cCOCCCCCCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;d11;s11;s9;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H13NO3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:5.74057
Area:372.857
Solvation:-3.58087
Coulombic:-45.2847
Bond Count [?]
All:14
Single:10
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:195.215
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.7
LogP (Chemaxon):-1.59

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Descriptor Annotations

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