aluminum 2-aminobutanoic acid

C4H9AlNO2+3 — CID 19792235

IUPACaluminum 2-aminobutanoic acid
SMILESCCC(N)C(=O)O.[Al+3]
InChIInChI=1S/C4H9NO2.Al/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);/q;+3
InChIKeyFEQGEYOOQBDYHV-UHFFFAOYSA-N
MW130.10 g/mol
LogP-0.57
Rot. Bonds2

About aluminum 2-aminobutanoic acid

aluminum 2-aminobutanoic acid (PubChem CID 19792235) has the molecular formula C4H9AlNO2+3 and a molecular weight of 130.10 g/mol. Its IUPAC name is aluminum 2-aminobutanoic acid.

Molecular Properties

Compound Namealuminum 2-aminobutanoic acid
PubChem CID19792235
Molecular FormulaC4H9AlNO2+3
Molecular Weight130.10 g/mol
Exact Mass130.04
IUPAC Namealuminum 2-aminobutanoic acid
SMILESCCC(N)C(=O)O.[Al+3]
InChIInChI=1S/C4H9NO2.Al/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);/q;+3
InChIKeyFEQGEYOOQBDYHV-UHFFFAOYSA-N
XLogP-0.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-aminobutanoic acid;ethane
CID 90764297
2-aminobutanoic acid;sulfane
CID 162128083
acetic acid;(2R)-2-aminobutanoic acid
CID 87105922
2-aminobutanoic acid;butanediamide
CID 87949418
2-aminobutanoic acid;2-methylprop-2-enoic acid
CID 161129910
(2S)-2-aminobutanoic acid;2,2,2-trifluoroacetaldehyde
CID 91416142
(2R)-2-(15N)azanyl(313C)pentanoic acid
CID 157463358
(2R)-2-amino(311C)pentanoic acid
CID 55291456
(2R)-2-amino-4-ethylpentanedioic acid
CID 57469863
3-amino-2-methylidenepentanoic acid
CID 23312012
(2S,5S)-2,5-diaminohexanedioic acid
CID 22871875
(2S)-2-amino-3-[(2R)-butan-2-yl]sulfanylpropanoic acid
CID 28744671

Frequently Asked Questions

What is the IUPAC name of aluminum 2-aminobutanoic acid?
The IUPAC name of aluminum 2-aminobutanoic acid (CID 19792235) is aluminum 2-aminobutanoic acid.
What is the SMILES notation for aluminum 2-aminobutanoic acid?
The canonical SMILES for aluminum 2-aminobutanoic acid is CCC(N)C(=O)O.[Al+3].
What is the InChIKey of aluminum 2-aminobutanoic acid?
The InChIKey is FEQGEYOOQBDYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.Al/c1-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H,6,7);/q;+3.
What are the key properties of aluminum 2-aminobutanoic acid?
aluminum 2-aminobutanoic acid has a molecular weight of 130.10 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum 2-aminobutanoic acid is sourced from PubChem (CID 19792235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).