bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)

C8H16FeN2O6 — CID 175941555

IUPACbis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
SMILESC[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Fe+2]
InChIInChI=1S/2C4H9NO3.Fe/c2*1-2(6)3(5)4(7)8;/h2*2-3,6H,5H2,1H3,(H,7,8);/q;;+2/p-2/t2*2-,3+;/m11./s1
InChIKeyYFEQTTKCJYFVPU-PZXRSRGQSA-L
MW292.07 g/mol
LogP-5.11
Rot. Bonds4

About bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)

bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+) (PubChem CID 175941555) has the molecular formula C8H16FeN2O6 and a molecular weight of 292.07 g/mol. Its IUPAC name is bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+).

Molecular Properties

Compound Namebis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
PubChem CID175941555
Molecular FormulaC8H16FeN2O6
Molecular Weight292.07 g/mol
Exact Mass292.04
IUPAC Namebis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
SMILESC[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Fe+2]
InChIInChI=1S/2C4H9NO3.Fe/c2*1-2(6)3(5)4(7)8;/h2*2-3,6H,5H2,1H3,(H,7,8);/q;;+2/p-2/t2*2-,3+;/m11./s1
InChIKeyYFEQTTKCJYFVPU-PZXRSRGQSA-L
XLogP-5.11
TPSA172.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.07
LogP ≤ 5-5.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 156579837
copper;acetaldehyde;bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 22828914
2-amino-3-methylbutanoate
CID 5460778
bismuth tris(2-amino-3-methylbutanoate)
CID 173224363
(2S)-2-aminopropanoate
CID 5460980
disodium;2,3-diaminobutanedioate
CID 87704477
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S,3R)-2-amino-3-hydroxybutanoic acid
CID 158974218
potassium 2-aminopropanoate
CID 21339510
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
4-amino-5-hydroxy-2-methylhexan-3-one
CID 58593164
(2S,3S)-2-amino-3-hydroxybutanoic acid;hydrochloride
CID 122360052

Frequently Asked Questions

What is the IUPAC name of bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)?
The IUPAC name of bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+) (CID 175941555) is bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+).
What is the SMILES notation for bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)?
The canonical SMILES for bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+) is C[C@@H](O)[C@H](N)C(=O)[O-].C[C@@H](O)[C@H](N)C(=O)[O-].[Fe+2].
What is the InChIKey of bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)?
The InChIKey is YFEQTTKCJYFVPU-PZXRSRGQSA-L. The full InChI is InChI=1S/2C4H9NO3.Fe/c2*1-2(6)3(5)4(7)8;/h2*2-3,6H,5H2,1H3,(H,7,8);/q;;+2/p-2/t2*2-,3+;/m11./s1.
What are the key properties of bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)?
bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+) has a molecular weight of 292.07 g/mol, XLogP of -5.11, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+) is sourced from PubChem (CID 175941555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).