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Chemical ID: 6427325
Chemical ID:
6427325
Name [?]:
2-(benzyl-methyl-amino)propanoic acid
SMILES [?]:
CC(C(=O)O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C11H15NO2/c1-9(11(13)14)12(2)8-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,7,12,11,13,10,14,8,2,9,3,6,4,5/E:(4,5)(6,7)(13,14)/rA:14cCCCOONCCCCCCCC/rB:s1;s2;d3;s3;s2;s6;s6;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H15NO2 |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 6.73767 |
Area: | 366.929 |
Solvation: | -2.43555 |
Coulombic: | -33.3625 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 193.242 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.68 |
LogP (Chemaxon): | -0.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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