2-(selenan-2-yl)butanoic acid

C9H16O2Se — CID 175135196

IUPAC2-(selenan-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCC[Se]1
InChIInChI=1S/C9H16O2Se/c1-2-7(9(10)11)8-5-3-4-6-12-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyFXYYXXKGKVXVOI-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.19
Rot. Bonds3

About 2-(selenan-2-yl)butanoic acid

2-(selenan-2-yl)butanoic acid (PubChem CID 175135196) has the molecular formula C9H16O2Se and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-(selenan-2-yl)butanoic acid.

Molecular Properties

Compound Name2-(selenan-2-yl)butanoic acid
PubChem CID175135196
Molecular FormulaC9H16O2Se
Molecular Weight235.18 g/mol
Exact Mass236.03
IUPAC Name2-(selenan-2-yl)butanoic acid
SMILESCCC(C(=O)O)C1CCCC[Se]1
InChIInChI=1S/C9H16O2Se/c1-2-7(9(10)11)8-5-3-4-6-12-8/h7-8H,2-6H2,1H3,(H,10,11)
InChIKeyFXYYXXKGKVXVOI-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173256646
CID 173256646
(2S)-2-[(3R)-pyrrolidin-3-yl]butanoic acid
CID 96735707
2-[(3S)-pyrrolidin-3-yl]butanoic acid
CID 166105507
4-cyclohexylhexan-3-one
CID 121006778
2-cyclooct-2-yn-1-ylbutanoic acid
CID 141424698
2-(oxan-3-yl)butanoic acid
CID 82411862
2-(3,3,5,5-tetramethylcyclohexyl)butanoic acid
CID 139912001
(2S,6S)-6-[(1S)-1-carboxypropyl]piperidine-2-carboxylic acid
CID 50919304
(2S,5S)-5-(1-carboxypropyl)pyrrolidine-2-carboxylic acid
CID 143979713
2-(cyclohexanecarbonyl)butanoic acid
CID 54295609
2-cyclopentyltridecanoic acid
CID 22665117

Frequently Asked Questions

What is the IUPAC name of 2-(selenan-2-yl)butanoic acid?
The IUPAC name of 2-(selenan-2-yl)butanoic acid (CID 175135196) is 2-(selenan-2-yl)butanoic acid.
What is the SMILES notation for 2-(selenan-2-yl)butanoic acid?
The canonical SMILES for 2-(selenan-2-yl)butanoic acid is CCC(C(=O)O)C1CCCC[Se]1.
What is the InChIKey of 2-(selenan-2-yl)butanoic acid?
The InChIKey is FXYYXXKGKVXVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2Se/c1-2-7(9(10)11)8-5-3-4-6-12-8/h7-8H,2-6H2,1H3,(H,10,11).
What are the key properties of 2-(selenan-2-yl)butanoic acid?
2-(selenan-2-yl)butanoic acid has a molecular weight of 235.18 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(selenan-2-yl)butanoic acid is sourced from PubChem (CID 175135196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).