Chemical ID: 4900318

CC(C)CC(C(=O)O)NC(=O)NC(C)C
Chemical ID:
4900318
Name [?]:
2-(isopropylcarbamoylamino)-4-methyl-pentanoic acid
SMILES [?]:
CC(C)CC(C(=O)O)NC(=O)NC(C)C
InChi [?]:
InChI=1/C10H20N2O3/c1-6(2)5-8(9(13)14)12-10(15)11-7(3)4/h6-8H,5H2,1-4H3,(H,13,14)(H2,11,12,15)
InChi Info:
AuxInfo=1/1/N:1,3,14,15,4,2,13,5,6,10,12,9,7,8,11/E:(1,2)(3,4)(13,14)/rA:15cCCCCCCOONCONCCC/rB:s1;s2;s2;s4;s5;d6;s6;s5;s9;d10;s10;s12;s13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H20N2O3
All Atoms:15
Heavy Atoms:15
Chiral Atoms:1
ZAP Information [?]
Total:7.96674
Area:419.909
Solvation:-2.53099
Coulombic:-62.0871
Bond Count [?]
All:14
Single:12
Double:2
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:216.277
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:1.58
LogP (Chemaxon):1.22

Name Annotations

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Descriptor Annotations

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