bismuth tris(2-amino-3-methylbutanoate)

C15H30BiN3O6 — CID 173224363

IUPACbismuth tris(2-amino-3-methylbutanoate)
SMILESCC(C)C(N)C(=O)[O-].CC(C)C(N)C(=O)[O-].CC(C)C(N)C(=O)[O-].[Bi+3]
InChIInChI=1S/3C5H11NO2.Bi/c3*1-3(2)4(6)5(7)8;/h3*3-4H,6H2,1-2H3,(H,7,8);/q;;;+3/p-3
InChIKeyANFAPOQKKFPDLG-UHFFFAOYSA-K
MW557.40 g/mol
LogP-4.22
Rot. Bonds6

About bismuth tris(2-amino-3-methylbutanoate)

bismuth tris(2-amino-3-methylbutanoate) (PubChem CID 173224363) has the molecular formula C15H30BiN3O6 and a molecular weight of 557.40 g/mol. Its IUPAC name is bismuth tris(2-amino-3-methylbutanoate).

Molecular Properties

Compound Namebismuth tris(2-amino-3-methylbutanoate)
PubChem CID173224363
Molecular FormulaC15H30BiN3O6
Molecular Weight557.40 g/mol
Exact Mass557.19
IUPAC Namebismuth tris(2-amino-3-methylbutanoate)
SMILESCC(C)C(N)C(=O)[O-].CC(C)C(N)C(=O)[O-].CC(C)C(N)C(=O)[O-].[Bi+3]
InChIInChI=1S/3C5H11NO2.Bi/c3*1-3(2)4(6)5(7)8;/h3*3-4H,6H2,1-2H3,(H,7,8);/q;;;+3/p-3
InChIKeyANFAPOQKKFPDLG-UHFFFAOYSA-K
XLogP-4.22
TPSA198.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.40
LogP ≤ 5-4.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-3-methylbutanoate
CID 5460778
(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
bis((2S,3R)-2-amino-3-hydroxybutanoate);iron(2+)
CID 175941555
magnesium bis((2S,3R)-2-amino-3-hydroxybutanoate)
CID 156579837
(2S)-2-aminopropanoate
CID 5460980
disodium;2,3-diaminobutanedioate
CID 87704477
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
bis((2S)-2-amino-3-methylbutanoic acid);sulfane
CID 87598201
potassium 2-aminopropanoate
CID 21339510
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208

Frequently Asked Questions

What is the IUPAC name of bismuth tris(2-amino-3-methylbutanoate)?
The IUPAC name of bismuth tris(2-amino-3-methylbutanoate) (CID 173224363) is bismuth tris(2-amino-3-methylbutanoate).
What is the SMILES notation for bismuth tris(2-amino-3-methylbutanoate)?
The canonical SMILES for bismuth tris(2-amino-3-methylbutanoate) is CC(C)C(N)C(=O)[O-].CC(C)C(N)C(=O)[O-].CC(C)C(N)C(=O)[O-].[Bi+3].
What is the InChIKey of bismuth tris(2-amino-3-methylbutanoate)?
The InChIKey is ANFAPOQKKFPDLG-UHFFFAOYSA-K. The full InChI is InChI=1S/3C5H11NO2.Bi/c3*1-3(2)4(6)5(7)8;/h3*3-4H,6H2,1-2H3,(H,7,8);/q;;;+3/p-3.
What are the key properties of bismuth tris(2-amino-3-methylbutanoate)?
bismuth tris(2-amino-3-methylbutanoate) has a molecular weight of 557.40 g/mol, XLogP of -4.22, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth tris(2-amino-3-methylbutanoate) is sourced from PubChem (CID 173224363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).