Chemical ID: 5283025

CCC(C)NC(=O)NC(C(C)C)C(=O)O
Chemical ID:
5283025
Name [?]:
3-methyl-2-(sec-butylcarbamoylamino)butanoic acid
SMILES [?]:
CCC(C)NC(=O)NC(C(C)C)C(=O)O
InChi [?]:
InChI=1/C10H20N2O3/c1-5-7(4)11-10(15)12-8(6(2)3)9(13)14/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)
InChi Info:
AuxInfo=1/1/N:1,11,12,4,2,10,3,9,13,6,5,8,14,15,7/E:(2,3)(13,14)/rA:15cCCCCNCONCCCCCOO/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;s10;s10;s9;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:2
ZAP Information [?]
Total:8.13197
Area:404.459
Solvation:-1.97949
Coulombic:-62.8526
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:216.277
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.15
LogP (Chemaxon):1.36

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Descriptor Annotations

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