alumane;(dihydroxyamino) acetate

C2H8AlNO4 — CID 174458216

IUPACalumane;(dihydroxyamino) acetate
SMILESCC(=O)ON(O)O.[AlH3]
InChIInChI=1S/C2H5NO4.Al.3H/c1-2(4)7-3(5)6;;;;/h5-6H,1H3;;;;
InChIKeyOENXQQVSPHRTDP-UHFFFAOYSA-N
MW137.07 g/mol
LogP-1.64
Rot. Bonds1

About alumane;(dihydroxyamino) acetate

alumane;(dihydroxyamino) acetate (PubChem CID 174458216) has the molecular formula C2H8AlNO4 and a molecular weight of 137.07 g/mol. Its IUPAC name is alumane;(dihydroxyamino) acetate.

Molecular Properties

Compound Namealumane;(dihydroxyamino) acetate
PubChem CID174458216
Molecular FormulaC2H8AlNO4
Molecular Weight137.07 g/mol
Exact Mass137.03
IUPAC Namealumane;(dihydroxyamino) acetate
SMILESCC(=O)ON(O)O.[AlH3]
InChIInChI=1S/C2H5NO4.Al.3H/c1-2(4)7-3(5)6;;;;/h5-6H,1H3;;;;
InChIKeyOENXQQVSPHRTDP-UHFFFAOYSA-N
XLogP-1.64
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.07
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 159425404
CID 159425404
(diacetyloxyamino) acetate;iron
CID 174751012
acetyloxy(hydroxy)carbamic acid
CID 154281940
[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;azane
CID 173013590
[bis(1-hydroxyethyl)amino] acetate
CID 57208315
[amino-(diacetyloxyamino)amino] acetate
CID 175234338
magnesium;[acetyloxy-[2-(diacetyloxyamino)ethyl]amino] acetate;hydride;pentahydrate
CID 175026838
[3-chloroprop-2-enyl(hydroxy)amino] acetate
CID 172737385
alumane;diacetyl oxalate
CID 173325871
methyl acetate;ruthenium
CID 160799101
[2-fluoroethyl(methyl)amino] acetate
CID 87464450
[(2-chloroacetyl)-methylamino] acetate
CID 87814077

Frequently Asked Questions

What is the IUPAC name of alumane;(dihydroxyamino) acetate?
The IUPAC name of alumane;(dihydroxyamino) acetate (CID 174458216) is alumane;(dihydroxyamino) acetate.
What is the SMILES notation for alumane;(dihydroxyamino) acetate?
The canonical SMILES for alumane;(dihydroxyamino) acetate is CC(=O)ON(O)O.[AlH3].
What is the InChIKey of alumane;(dihydroxyamino) acetate?
The InChIKey is OENXQQVSPHRTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5NO4.Al.3H/c1-2(4)7-3(5)6;;;;/h5-6H,1H3;;;;.
What are the key properties of alumane;(dihydroxyamino) acetate?
alumane;(dihydroxyamino) acetate has a molecular weight of 137.07 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for alumane;(dihydroxyamino) acetate is sourced from PubChem (CID 174458216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).