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Chemical ID: 4260261
Chemical ID:
4260261
Name [?]:
methyl 2-amino-3-(4-hydroxyphenyl)-propanoate
SMILES [?]:
COC(=O)C(Cc1ccc(cc1)O)N
InChi [?]:
InChI=1/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,12,9,11,6,7,10,5,3,14,13,4,2/E:(2,3)(4,5)/rA:14cCOCOCCCCCCCCON/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s10;s5;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13NO3 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.54985 |
Area: | 377.872 |
Solvation: | -2.89695 |
Coulombic: | -47.7604 |
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): | 0.9 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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