Chemical ID: 7177474

CC(C)CC(C(=O)OC)NC(=O)CC(C)C
Chemical ID:
7177474
Name [?]:
methyl 4-methyl-2-(3-methylbutanoylamino)pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)CC(C)C
InChi [?]:
InChI=1/C12H23NO3/c1-8(2)6-10(12(15)16-5)13-11(14)7-9(3)4/h8-10H,6-7H2,1-5H3,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,3,15,16,9,4,13,2,14,5,11,6,10,12,7,8/E:(1,2)(3,4)/rA:16cCCCCCCOOCNCOCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s14;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H23NO3
All Atoms:39
Heavy Atoms:16
Chiral Atoms:1
ZAP Information [?]
Total:8.63522
Area:429.632
Solvation:-2.10557
Coulombic:-40.8794
Bond Count [?]
All:15
Single:13
Double:2
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:229.316
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.7
LogP (Chemaxon):1.88

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Descriptor Annotations

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