DI6

3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID

Created:2007-05-24
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of DI6

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Chemical Component Summary

Name3-[(4S)-2,5-DIOXOIMIDAZOLIDIN-4-YL]PROPANOIC ACID
Systematic Name (OpenEye OEToolkits)3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanoic acid
FormulaC6 H8 N2 O4
Molecular Weight172.139
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C1NC(C(=O)N1)CCC(=O)O
SMILESCACTVS3.341OC(=O)CC[CH]1NC(=O)NC1=O
SMILESOpenEye OEToolkits1.5.0C(CC(=O)O)C1C(=O)NC(=O)N1
Canonical SMILESCACTVS3.341 OC(=O)CC[C@@H]1NC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits1.5.0 C(CC(=O)O)[C@H]1C(=O)NC(=O)N1
InChIInChI1.03 InChI=1S/C6H8N2O4/c9-4(10)2-1-3-5(11)8-6(12)7-3/h3H,1-2H2,(H,9,10)(H2,7,8,11,12)/t3-/m0/s1
InChIKeyInChI1.03 VWFWNXQAMGDPGG-VKHMYHEASA-N

Related Resource References

Resource NameReference
PubChem 715854
CCDC/CSD CUBJEQ
COD 7219624