Chemical ID: 5208161

CC(C)NCCCC(=O)OC
Chemical ID:
5208161
Name [?]:
methyl 4-isopropylaminobutanoate
SMILES [?]:
CC(C)NCCCC(=O)OC
InChi [?]:
InChI=1/C8H17NO2/c1-7(2)9-6-4-5-8(10)11-3/h7,9H,4-6H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,11,6,7,5,2,8,4,9,10/E:(1,2)/rA:11nCCCNCCCCOOC/rB:s1;s2;s2;s4;s5;s6;s7;d8;s8;s10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H17NO2
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:6.91844
Area:360.634
Solvation:-2.0974
Coulombic:-26.3636
Bond Count [?]
All:10
Single:9
Double:1
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:159.226
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.93
LogP (Chemaxon):0.56

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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