2-amino-3-hydroxybutanoic acid;selane

C4H11NO3Se — CID 174980406

IUPAC2-amino-3-hydroxybutanoic acid;selane
SMILESCC(O)C(N)C(=O)O.[SeH2]
InChIInChI=1S/C4H9NO3.H2Se/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H2
InChIKeyALXBQWIQCMTMIB-UHFFFAOYSA-N
MW200.10 g/mol
LogP-2.14
Rot. Bonds2

About 2-amino-3-hydroxybutanoic acid;selane

2-amino-3-hydroxybutanoic acid;selane (PubChem CID 174980406) has the molecular formula C4H11NO3Se and a molecular weight of 200.10 g/mol. Its IUPAC name is 2-amino-3-hydroxybutanoic acid;selane.

Molecular Properties

Compound Name2-amino-3-hydroxybutanoic acid;selane
PubChem CID174980406
Molecular FormulaC4H11NO3Se
Molecular Weight200.10 g/mol
Exact Mass200.99
IUPAC Name2-amino-3-hydroxybutanoic acid;selane
SMILESCC(O)C(N)C(=O)O.[SeH2]
InChIInChI=1S/C4H9NO3.H2Se/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H2
InChIKeyALXBQWIQCMTMIB-UHFFFAOYSA-N
XLogP-2.14
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.10
LogP ≤ 5-2.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052
2-amino-3-hydroxybutanoic acid;urea
CID 174908114
CID 87185843
CID 87185843
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314
potassium;sodium;2-amino-3-hydroxybutanoic acid;hydride
CID 175449231
(2S,3R)-2-amino-3-hydroxybutanoic acid;propan-1-ol
CID 174830417
(2R,3S)-2-amino-3-hydroxybutanoic acid;(2R)-2-amino-3-hydroxypropanoic acid
CID 87257146
2-amino-3-hydroxybutanoic acid;2-amino-3-methylpentanoic acid
CID 22316344
(2R)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 89103200
(2S,3S)-2-amino-4-hydroxy-3-methylpentanoic acid
CID 55283948
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-hydroxypropanoic acid;(2S)-2-aminopropanoic acid
CID 87194816

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxybutanoic acid;selane?
The IUPAC name of 2-amino-3-hydroxybutanoic acid;selane (CID 174980406) is 2-amino-3-hydroxybutanoic acid;selane.
What is the SMILES notation for 2-amino-3-hydroxybutanoic acid;selane?
The canonical SMILES for 2-amino-3-hydroxybutanoic acid;selane is CC(O)C(N)C(=O)O.[SeH2].
What is the InChIKey of 2-amino-3-hydroxybutanoic acid;selane?
The InChIKey is ALXBQWIQCMTMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3.H2Se/c1-2(6)3(5)4(7)8;/h2-3,6H,5H2,1H3,(H,7,8);1H2.
What are the key properties of 2-amino-3-hydroxybutanoic acid;selane?
2-amino-3-hydroxybutanoic acid;selane has a molecular weight of 200.10 g/mol, XLogP of -2.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxybutanoic acid;selane is sourced from PubChem (CID 174980406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).