Chemical ID: 5272444

CCC(C)C(C(=O)OC)NC(=O)N1CCOCC1
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

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