alumane;amino 2,2-dihydroxyacetate

C2H8AlNO4 — CID 173002516

IUPACalumane;amino 2,2-dihydroxyacetate
SMILESNOC(=O)C(O)O.[AlH3]
InChIInChI=1S/C2H5NO4.Al.3H/c3-7-2(6)1(4)5;;;;/h1,4-5H,3H2;;;;
InChIKeyJIWQLRLFOIAEAJ-UHFFFAOYSA-N
MW137.07 g/mol
LogP-3.47
Rot. Bonds1

About alumane;amino 2,2-dihydroxyacetate

alumane;amino 2,2-dihydroxyacetate (PubChem CID 173002516) has the molecular formula C2H8AlNO4 and a molecular weight of 137.07 g/mol. Its IUPAC name is alumane;amino 2,2-dihydroxyacetate.

Molecular Properties

Compound Namealumane;amino 2,2-dihydroxyacetate
PubChem CID173002516
Molecular FormulaC2H8AlNO4
Molecular Weight137.07 g/mol
Exact Mass137.03
IUPAC Namealumane;amino 2,2-dihydroxyacetate
SMILESNOC(=O)C(O)O.[AlH3]
InChIInChI=1S/C2H5NO4.Al.3H/c3-7-2(6)1(4)5;;;;/h1,4-5H,3H2;;;;
InChIKeyJIWQLRLFOIAEAJ-UHFFFAOYSA-N
XLogP-3.47
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.07
LogP ≤ 5-3.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

alumane;2,2-dihydroxyethaneperoxoic acid
CID 175278536
calcium;amino 2-hydroxypropanoate;hydride
CID 173433057
(2R,3R)-4-aminooxy-2,3-dihydroxy-4-oxobutanoic acid
CID 89355402
diamino 2,3-dimethylbutanedioate
CID 22892701
diamino 2-hydroxybutanedioate;zinc
CID 175141519
potassium 4-aminooxy-2,3-dihydroxy-4-oxobutanoate
CID 174636110
ethenyl 2,2-dihydroxyacetate
CID 172859398
phosphono 2,2-dihydroxyacetate
CID 18352457
amino (2R)-2-amino-3-methylbutanoate
CID 135308017
amino 2,3,4,5-tetrahydroxy-6-oxohexanoate
CID 88685790
amino (2S)-2-(methylamino)propanoate
CID 23546966
(2R)-2-aminooxy-2-hydroxyacetic acid
CID 90135688

Frequently Asked Questions

What is the IUPAC name of alumane;amino 2,2-dihydroxyacetate?
The IUPAC name of alumane;amino 2,2-dihydroxyacetate (CID 173002516) is alumane;amino 2,2-dihydroxyacetate.
What is the SMILES notation for alumane;amino 2,2-dihydroxyacetate?
The canonical SMILES for alumane;amino 2,2-dihydroxyacetate is NOC(=O)C(O)O.[AlH3].
What is the InChIKey of alumane;amino 2,2-dihydroxyacetate?
The InChIKey is JIWQLRLFOIAEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4.Al.3H/c3-7-2(6)1(4)5;;;;/h1,4-5H,3H2;;;;.
What are the key properties of alumane;amino 2,2-dihydroxyacetate?
alumane;amino 2,2-dihydroxyacetate has a molecular weight of 137.07 g/mol, XLogP of -3.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;amino 2,2-dihydroxyacetate is sourced from PubChem (CID 173002516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).