Chemical ID: 3990165

CC(C)CC(C(=O)O)NC(=O)c1ccc(cc1)Cl
Chemical ID:
3990165
Name [?]:
2-(4-chlorobenzoyl)amino-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)c1ccc(cc1)Cl
InChi [?]:
InChI=1/C13H16ClNO3/c1-8(2)7-11(13(17)18)15-12(16)9-3-5-10(14)6-4-9/h3-6,8,11H,7H2,1-2H3,(H,15,16)(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,13,17,14,16,4,2,12,15,5,10,6,18,9,11,7,8/E:(1,2)(3,4)(5,6)(17,18)/rA:18cCCCCCCOONCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H16ClNO3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:9.1299
Area:471.964
Solvation:-2.6692
Coulombic:-50.6084
Bond Count [?]
All:18
Single:13
Double:5
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:269.724
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.39
LogP (Chemaxon):2.74

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