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 | |
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Formal Charge | 0 |
Atom Count | 28 |
Chiral Atom Count | 3 |
Bond Count | 28 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
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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 |
Formula | C8 H16 N2 O2 |
Molecular Weight | 172.225 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1NCCC1CC(N)C(O)C |
SMILES | CACTVS | 3.385 | C[CH](O)[CH](N)C[CH]1CCNC1=O |
SMILES | OpenEye OEToolkits | 1.7.5 | CC(C(CC1CCNC1=O)N)O |
Canonical SMILES | CACTVS | 3.385 | C[C@@H](O)[C@@H](N)C[C@@H]1CCNC1=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.5 | C[C@H]([C@H](C[C@@H]1CCNC1=O)N)O |
InChI | InChI | 1.03 | 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 |
InChIKey | InChI | 1.03 | CXMPAAAEMQSIAK-VQVTYTSYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 16214838 |