Chemical ID: 5270842

CC(C)C(C(=O)O)NC(=O)NC1CC1
Chemical ID:
5270842
Name [?]:
2-(cyclopropylcarbamoylamino)-3-methyl-butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)NC1CC1
InChi [?]:
InChI=1/C9H16N2O3/c1-5(2)7(8(12)13)11-9(14)10-6-3-4-6/h5-7H,3-4H2,1-2H3,(H,12,13)(H2,10,11,14)
InChi Info:
AuxInfo=1/1/N:1,3,13,14,2,12,4,5,9,11,8,6,7,10/E:(1,2)(3,4)(12,13)/rA:14cCCCCCOONCONCCC/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s12s13;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H16N2O3
All Atoms:14
Heavy Atoms:14
Chiral Atoms:1
ZAP Information [?]
Total:7.13842
Area:386.602
Solvation:-2.52662
Coulombic:-61.6461
Bond Count [?]
All:14
Single:12
Double:2
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:200.235
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:0.46
LogP (Chemaxon):0.54

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Descriptor Annotations

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