ECQ

(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE

Created: 2007-06-07
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count3
Bond Count28
Aromatic Bond Count0
2D diagram of ECQ

Chemical Component Summary

Name(3S)-3-[(2S)-2-AMINO-3-HYDROXYBUTYL]PYRROLIDIN-2-ONE
Systematic Name (OpenEye OEToolkits)(3S)-3-[(2S,3R)-2-amino-3-hydroxy-butyl]pyrrolidin-2-one
FormulaC8 H16 N2 O2
Molecular Weight172.225
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C1NCCC1CC(N)C(O)C
SMILESCACTVS3.385C[CH](O)[CH](N)C[CH]1CCNC1=O
SMILESOpenEye OEToolkits1.7.5CC(C(CC1CCNC1=O)N)O
Canonical SMILESCACTVS3.385 C[C@@H](O)[C@@H](N)C[C@@H]1CCNC1=O
Canonical SMILESOpenEye OEToolkits1.7.5 C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O
InChIInChI1.03 InChI=1S/C8H16N2O2/c1-5(11)7(9)4-6-2-3-10-8(6)12/h5-7,11H,2-4,9H2,1H3,(H,10,12)/t5-,6+,7+/m1/s1
InChIKeyInChI1.03 CXMPAAAEMQSIAK-VQVTYTSYSA-N

Related Resource References

Resource NameReference
PubChem 16214838