76I

(2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid

Created:2021-08-04
Last modified:  2022-08-10

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Chemical Details

Formal Charge0
Atom Count21
Chiral Atom Count1
Bond Count20
Aromatic Bond Count0
2D diagram of 76I

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Chemical Component Summary

Name(2S)-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid
Synonyms2-hydroxy-2-(hydroxy(isopropyl)amino)acetate; (2S)-2-Hydroxy-2-[hydroxy(propan-2-yl)amino]acetic acid; 87438397
Systematic Name (OpenEye OEToolkits)(2~{S})-2-oxidanyl-2-[oxidanyl(propan-2-yl)amino]ethanoic acid
FormulaC5 H11 N O4
Molecular Weight149.145
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385CC(C)N(O)[CH](O)C(O)=O
SMILESOpenEye OEToolkits2.0.7CC(C)N(C(C(=O)O)O)O
Canonical SMILESCACTVS3.385 CC(C)N(O)[C@@H](O)C(O)=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)N([C@H](C(=O)O)O)O
InChIInChI1.03 InChI=1S/C5H11NO4/c1-3(2)6(10)4(7)5(8)9/h3-4,7,10H,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyInChI1.03 SAXCDYFGYFOTMB-BYPYZUCNSA-N

Related Resource References

Resource NameReference
PubChem 87438397