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Chemical ID: 5103100
Chemical ID:
5103100
Name [?]:
2-amino-3-(2-methoxyphenyl)-propanoic acid
SMILES [?]:
COc1ccccc1CC(C(=O)O)N
InChi [?]:
InChI=1/C10H13NO3/c1-14-9-5-3-2-4-7(9)6-8(11)10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,6,5,7,4,9,8,10,3,11,14,12,13,2/E:(12,13)/rA:14cCOCCCCCCCCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s10;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.22735 |
Area: | 367.064 |
Solvation: | -2.94923 |
Coulombic: | -47.2192 |
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: | -1.46 |
LogP (Chemaxon): | -1.4 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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