Chemical ID: 6137912

CCCCC(CC)C(=O)NCC(=O)OC
Chemical ID:
6137912
Name [?]:
methyl 2-(2-ethylhexanoylamino)acetate
SMILES [?]:
CCCCC(CC)C(=O)NCC(=O)OC
InChi [?]:
InChI=1/C11H21NO3/c1-4-6-7-9(5-2)11(14)12-8-10(13)15-3/h9H,4-8H2,1-3H3,(H,12,14)
InChi Info:
AuxInfo=1/1/N:1,7,15,2,6,3,4,11,5,12,8,10,13,9,14/rA:15cCCCCCCCCONCCOOC/rB:s1;s2;s3;s4;s5;s6;s5;d8;s8;s10;s11;d12;s12;s14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H21NO3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:8.63132
Area:438.471
Solvation:-2.33046
Coulombic:-40.5349
Bond Count [?]
All:14
Single:12
Double:2
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:215.289
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.24
LogP (Chemaxon):1.56

Name Annotations

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Descriptor Annotations

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