Chemical ID: 5097927

CC(c1cccc(c1)OC)(C(=O)O)N
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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Descriptor Annotations

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