Chemical ID: 5273167

CCC(C)C(C(=O)O)NC(=O)NCCCN(C)C
Chemical ID:
5273167
Name [?]:
2-(3-dimethylaminopropylcarbamoylamino)-3-methyl-pentanoic acid
SMILES [?]:
CCC(C)C(C(=O)O)NC(=O)NCCCN(C)C
InChi [?]:
InChI=1/C12H25N3O3/c1-5-9(2)10(11(16)17)14-12(18)13-7-6-8-15(3)4/h9-10H,5-8H2,1-4H3,(H,16,17)(H2,13,14,18)
InChi Info:
AuxInfo=1/1/N:1,4,17,18,2,14,13,15,3,5,6,10,12,9,16,7,8,11/E:(3,4)(16,17)/rA:18cCCCCCCOONCONCCCNCC/rB:s1;s2;s3;s3;s5;d6;s6;s5;s9;d10;s10;s12;s13;s14;s15;s16;s16;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H25N3O3
All Atoms:18
Heavy Atoms:18
Chiral Atoms:2
ZAP Information [?]
Total:9.31523
Area:493.746
Solvation:-3.02843
Coulombic:-66.8947
Bond Count [?]
All:17
Single:15
Double:2
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:259.345
H-Bond Donors:3
H-Bond Acceptors:6
XLogP:0.69
LogP (Chemaxon):-3.71

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