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Chemical ID: 5283514
Chemical ID:
5283514
Name [?]:
3-methyl-2-(2-morpholinoethylcarbamoylamino)butanoic acid
SMILES [?]:
CC(C)C(C(=O)O)NC(=O)NCCN1CCOCC1
InChi [?]:
InChI=1/C12H23N3O4/c1-9(2)10(11(16)17)14-12(18)13-3-4-15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3,(H,16,17)(H2,13,14,18)
InChi Info:
AuxInfo=1/1/N:1,3,12,13,15,19,16,18,2,4,5,9,11,8,14,6,7,10,17/E:(1,2)(5,6)(7,8)(16,17)/rA:19cCCCCCOONCONCCNCCOCC/rB:s1;s2;s2;s4;d5;s5;s4;s8;d9;s9;s11;s12;s13;s14;s15;s16;s17;s14s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H23N3O4 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.07653 |
Area: | 482.367 |
Solvation: | -3.98265 |
Coulombic: | -74.8418 |
Bond Count [?]
All: | 19 |
Single: | 17 |
Double: | 2 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 273.329 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | -0.63 |
LogP (Chemaxon): | -3.86 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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