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Chemical ID: 5272444
Chemical ID:
5272444
Name [?]:
methyl 3-methyl-2-morpholinocarbonylamino-pentanoate
SMILES [?]:
CCC(C)C(C(=O)OC)NC(=O)N1CCOCC1
InChi [?]:
InChI=1/C12H22N2O4/c1-4-9(2)10(11(15)17-3)13-12(16)14-5-7-18-8-6-14/h9-10H,4-8H2,1-3H3,(H,13,16)
InChi Info:
AuxInfo=1/1/N:1,4,9,2,14,18,15,17,3,5,6,11,10,13,7,12,8,16/E:(5,6)(7,8)/rA:18cCCCCCCOOCNCONCCOCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s5;s10;d11;s11;s13;s14;s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H22N2O4 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.25231 |
Area: | 453.926 |
Solvation: | -4.09584 |
Coulombic: | -57.2766 |
Bond Count [?]
All: | 18 |
Single: | 16 |
Double: | 2 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 258.314 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.55 |
LogP (Chemaxon): | 0.47 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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