Structure Database (LMSD)

Common Name
Sakacin P
Systematic Name
tert-butyl N-(1-carbamoyl-1-oxopropan-2-yl)carbamate
Synonyms
LM ID
LMFA08010024
Formula
C9H16N2O4
Exact Mass
Calculate m/z
216.111008
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty amides [FA08]
Primary amides [FA0801]
Fatty Acids and Conjugates [FA01]
Branched fatty acids [FA0102]
Oxo fatty acids [FA0106]
Amino fatty acids [FA0110]

String Representations

InChiKey (Click to copy)
VMETVXNVLXCEFC-UHFFFAOYSA-N
InChi (Click to copy)
InChI=1S/C9H16N2O4/c1-5(6(12)7(10)13)11-8(14)15-9(2,3)4/h5H,1-4H3,(H2,10,13)(H,11,14)
SMILES (Click to copy)
CC(NC(OC(C)(C)C)=O)C(C(N)=O)=O

Other Databases

HMDB ID
HMDB0038239
CHEBI ID
173622
PubChem CID
383827

Calculated Physicochemical Properties

Heavy Atoms 15
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 213.50
Topological Polar Surface Area 98.49
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
logP 0.53
Molar Refractivity 54.06

Admin

Created at
-
Updated at
-