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Chemical ID: 5271877
Chemical ID:
5271877
Name [?]:
methyl 2-(cyclopropylcarbamoylamino)-4-methyl-pentanoate
SMILES [?]:
CC(C)CC(C(=O)OC)NC(=O)NC1CC1
InChi [?]:
InChI=1/C11H20N2O3/c1-7(2)6-9(10(14)16-3)13-11(15)12-8-4-5-8/h7-9H,4-6H2,1-3H3,(H2,12,13,15)
InChi Info:
AuxInfo=1/1/N:1,3,9,15,16,4,2,14,5,6,11,13,10,7,12,8/E:(1,2)(4,5)/rA:16cCCCCCCOOCNCONCCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C11H20N2O3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.82118 |
Area: | 437.069 |
Solvation: | -2.10554 |
Coulombic: | -54.5852 |
Bond Count [?]
All: | 16 |
Single: | 14 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 228.288 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.56 |
LogP (Chemaxon): | 0.89 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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