Chemical ID: 5281033

CCC(C)C(C(=O)O)NC(=O)N(C)Cc1ccccc1
Chemical ID:
5281033
Name [?]:
2-(benzyl-methyl-carbamoyl)amino-3-methyl-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)N(C)Cc1ccccc1
InChi [?]:
InChI=1/C15H22N2O3/c1-4-11(2)13(14(18)19)16-15(20)17(3)10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,4,13,2,18,17,19,16,20,14,3,15,5,6,10,9,12,7,8,11/E:(6,7)(8,9)(18,19)/rA:20cCCCCCCOONCONCCCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H22N2O3
All Atoms:20
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:8.75529
Area:468.691
Solvation:-2.96198
Coulombic:-59.2142
Bond Count [?]
All:20
Single:15
Double:5
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:278.347
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:2.33
LogP (Chemaxon):2.56

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