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Chemical ID: 4268213
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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