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Chemical ID: 5232203
Chemical ID:
5232203
Name [?]:
2-(2,2-dimethylpropanoylamino)-3-(1H-imidazol-4-yl)propanoic acid
SMILES [?]:
CC(C)(C)C(=O)NC(Cc1c[nH]cn1)C(=O)O
InChi [?]:
InChI=1/C11H17N3O3/c1-11(2,3)10(17)14-8(9(15)16)4-7-5-12-6-13-7/h5-6,8H,4H2,1-3H3,(H,12,13)(H,14,17)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,3,4,9,11,13,10,8,15,5,2,12,14,7,16,17,6/E:(1,2,3)(15,16)/rA:17cCCCCCONCCCCNCNCOO/rB:s1;s2;s2;s2;d5;s5;s7;s8;s9;d10;s11;s12;s10d13;s8;d15;s15;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H17N3O3 |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.78908 |
Area: | 413.349 |
Solvation: | -3.54464 |
Coulombic: | -61.7771 |
Bond Count [?]
All: | 17 |
Single: | 13 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.271 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 0.07 |
LogP (Chemaxon): | -1.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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