Structure database (LMSD)

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LM IDLMFA08010024
Common NameSakacin P
Systematic Nametert-butyl N-(1-carbamoyl-1-oxopropan-2-yl)carbamate
Synonyms-
Exact Mass
216.1110 (neutral)    Calculate m/z:
FormulaC9H16N2O4
CategoryFatty Acyls [FA]
Main ClassFatty amides [FA08]
Sub ClassPrimary amides [FA0801]
Alternative ClassesBranched fatty acids[FA0102], Oxo fatty acids[FA0106], Amino fatty acids[FA0110]
PubChem CID383827
HMDB IDHMDB0038239
InChIKeyVMETVXNVLXCEFC-UHFFFAOYSA-N  Show lipids differing only in stereochemistry/bond geometry
InChIInChI=1S/C9H16N2O4/c1-5(6(12)7(10)13)11-8(14)15-9(2,3)4/h5H,1-4H3,(H2,10,13)(H,1
1,14)
SMILESCC(NC(OC(C)(C)C)=O)C(C(N)=O)=O
StatusActive
Calculated physicochemical properties (?):
 Heavy Atoms15Rings0Aromatic Rings0Rotatable Bonds6
 van der Waals
Molecular Volume
213.50Topological Polar
Surface Area
98.49Hydrogen
Bond Donors
2Hydrogen
Bond Acceptors
4
 logP0.53Molar
Refractivity
54.06