Chemical ID: 6657862

CC(C)CC(C(=O)O)NC(=O)C(CC(C)C)Br
Chemical ID:
6657862
Name [?]:
2-(2-bromo-4-methyl-pentanoyl)amino-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)C(CC(C)C)Br
InChi [?]:
InChI=1/C12H22BrNO3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6H2,1-4H3,(H,14,15)(H,16,17)
InChi Info:
AuxInfo=1/1/N:15,16,1,3,13,4,14,2,12,5,10,6,17,9,11,7,8/E:(1,2)(3,4)(16,17)/rA:17cCCCCCCOONCOCCCCCBr/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s14;s12;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H22BrNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:2
ZAP Information [?]
Total:8.98374
Area:471.722
Solvation:-2.80932
Coulombic:-49.0042
Bond Count [?]
All:16
Single:14
Double:2
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:308.212
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):2.88

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