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Chemical ID: 5278148
Chemical ID:
5278148
Name [?]:
methyl 2-morpholinocarbonylaminopropanoate
SMILES [?]:
CC(C(=O)OC)NC(=O)N1CCOCC1
InChi [?]:
InChI=1/C9H16N2O4/c1-7(8(12)14-2)10-9(13)11-3-5-15-6-4-11/h7H,3-6H2,1-2H3,(H,10,13)
InChi Info:
AuxInfo=1/1/N:1,6,11,15,12,14,2,3,8,7,10,4,9,5,13/E:(3,4)(5,6)/rA:15cCCCOOCNCONCCOCC/rB:s1;s2;d3;s3;s5;s2;s7;d8;s8;s10;s11;s12;s13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H16N2O4 |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.25402 |
Area: | 397.204 |
Solvation: | -3.67608 |
Coulombic: | -56.6159 |
Bond Count [?]
All: | 15 |
Single: | 13 |
Double: | 2 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 216.234 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | -0.68 |
LogP (Chemaxon): | -0.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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