Chemical ID: 5282418

CC(C)CC(C(=O)O)NC(=O)N(C)Cc1ccccc1
Chemical ID:
5282418
Name [?]:
2-(benzyl-methyl-carbamoyl)amino-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C15H22N2O3/c1-11(2)9-13(14(18)19)16-15(20)17(3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,13,18,17,19,16,20,4,14,2,15,5,6,10,9,12,7,8,11/E:(1,2)(5,6)(7,8)(18,19)/rA:20cCCCCCCOONCONCCCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.87115
Area:479.174
Solvation:-3.1082
Coulombic:-58.9183
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:278.347
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.55
LogP (Chemaxon):2.49

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