Chemical ID: 4260261

COC(=O)C(Cc1ccc(cc1)O)N
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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