Chemical ID: 5275323

CCC(C)C(C(=O)O)NC(=O)NC(C)c1ccccc1
Chemical ID:
5275323
Name [?]:
3-methyl-2-(1-phenylethylcarbamoylamino)pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)NC(C)c1ccccc1
InChi [?]:
InChI=1/C15H22N2O3/c1-4-10(2)13(14(18)19)17-15(20)16-11(3)12-8-6-5-7-9-12/h5-11,13H,4H2,1-3H3,(H,18,19)(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,4,14,2,18,17,19,16,20,3,13,15,5,6,10,12,9,7,8,11/E:(6,7)(8,9)(18,19)/rA:20cCCCCCCOONCONCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:9.78147
Area:498.882
Solvation:-2.69059
Coulombic:-64.1526
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:278.347
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.72
LogP (Chemaxon):2.73

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