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Chemical ID: 5097927
Chemical ID:
5097927
Name [?]:
2-amino-2-(3-methoxyphenyl)-propanoic acid
SMILES [?]:
CC(c1cccc(c1)OC)(C(=O)O)N
InChi [?]:
InChI=1/C10H13NO3/c1-10(11,9(12)13)7-4-3-5-8(6-7)14-2/h3-6H,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,10,5,4,6,8,3,7,11,2,14,12,13,9/E:(12,13)/rA:14cCCCCCCCCOCCOON/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s2;d11;s11;s2;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 5.67928 |
Area: | 360.109 |
Solvation: | -3.32344 |
Coulombic: | -47.4341 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 195.215 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | -1.35 |
LogP (Chemaxon): | -1.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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