Chemical ID: 6507316

CC(C)CC(C(=O)O)NC(=O)Nc1ccccc1
Chemical ID:
6507316
Name [?]:
4-methyl-2-(phenylcarbamoylamino)pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)Nc1ccccc1
InChi [?]:
InChI=1/C13H18N2O3/c1-9(2)8-11(12(16)17)15-13(18)14-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChi Info:
AuxInfo=1/1/N:1,3,16,15,17,14,18,4,2,13,5,6,10,12,9,7,8,11/E:(1,2)(4,5)(6,7)(16,17)/rA:18cCCCCCCOONCONCCCCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H18N2O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:1
ZAP Information [?]
Total:8.51339
Area:454.677
Solvation:-2.85353
Coulombic:-62.5501
Bond Count [?]
All:18
Single:13
Double:5
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:250.294
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.62

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