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Chemical ID: 5270842
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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