Chemical ID: 4588407

CC(C)CC(C(C)CC(=O)Nc1ccccc1Cl)C(=O)O
Chemical ID:
4588407
Name [?]:
5-(2-chlorophenyl)amino-2-isobutyl-3-methyl-5-oxo-pentanoic acid
SMILES [?]:
CC(C)CC(C(C)CC(=O)Nc1ccccc1Cl)C(=O)O
InChi [?]:
InChI=1/C16H22ClNO3/c1-10(2)8-12(16(20)21)11(3)9-15(19)18-14-7-5-4-6-13(14)17/h4-7,10-12H,8-9H2,1-3H3,(H,18,19)(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,3,7,15,14,16,13,4,8,2,6,5,17,12,9,19,18,11,10,20,21/E:(1,2)(20,21)/rA:21cCCCCCCCCCONCCCCCCClCOO/rB:s1;s2;s2;s4;s5;s6;s6;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s5;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H22ClNO3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:10.2064
Area:519.547
Solvation:-2.78222
Coulombic:-48.2741
Bond Count [?]
All:21
Single:16
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:311.804
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.44

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