Chemical ID: 5170636

CN(CCC(=O)O)Cc1cccc(c1)OC
Chemical ID:
5170636
Name [?]:
3-[(3-methoxyphenyl)methyl-methyl-amino]propanoic acid
SMILES [?]:
CN(CCC(=O)O)Cc1cccc(c1)OC
InChi [?]:
InChI=1/C12H17NO3/c1-13(7-6-12(14)15)9-10-4-3-5-11(8-10)16-2/h3-5,8H,6-7,9H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,16,11,10,12,4,3,14,8,9,13,5,2,6,7,15/E:(14,15)/rA:16cCNCCCOOCCCCCCCOC/rB:s1;s2;s3;s4;d5;s5;s2;s8;s9;d10;s11;d12;d9s13;s13;s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H17NO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:7.0618
Area:423.619
Solvation:-3.52868
Coulombic:-38.5006
Bond Count [?]
All:16
Single:12
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:223.268
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.23
LogP (Chemaxon):-1.24

Name Annotations

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Descriptor Annotations

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