Chemical ID: 6670763

CC(C)CC(C(=O)OC)NC(=O)C
Chemical ID:
6670763
Name [?]:
methyl 2-acetamido-4-methyl-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)C
InChi [?]:
InChI=1/C9H17NO3/c1-6(2)5-8(9(12)13-4)10-7(3)11/h6,8H,5H2,1-4H3,(H,10,11)
InChi Info:
AuxInfo=1/1/N:1,3,13,9,4,2,11,5,6,10,12,7,8/E:(1,2)/rA:13cCCCCCCOOCNCOC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H17NO3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:1
ZAP Information [?]
Total:6.69691
Area:379.987
Solvation:-2.80276
Coulombic:-39.0395
Bond Count [?]
All:12
Single:10
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:187.236
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.37
LogP (Chemaxon):0.52

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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