Chemical ID: 5283514

CC(C)C(C(=O)O)NC(=O)NCCN1CCOCC1
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

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