Chemical ID: 5167034

COC(=O)CCNCc1ccccc1
Chemical ID:
5167034
Name [?]:
methyl 3-benzylaminopropanoate
SMILES [?]:
COC(=O)CCNCc1ccccc1
InChi [?]:
InChI=1/C11H15NO2/c1-14-11(13)7-8-12-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,12,11,13,10,14,5,6,8,9,3,7,4,2/E:(3,4)(5,6)/rA:14nCOCOCCNCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H15NO2
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:7.74246
Area:400.629
Solvation:-2.27327
Coulombic:-27.9783
Bond Count [?]
All:14
Single:10
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:193.242
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.4
LogP (Chemaxon):1.33

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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