4-naphthalen-2-ylselanylbutanoic acid

C14H14O2Se — CID 102279470

IUPAC4-naphthalen-2-ylselanylbutanoic acid
SMILESO=C(O)CCC[Se]c1ccc2ccccc2c1
InChIInChI=1S/C14H14O2Se/c15-14(16)6-3-9-17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2,(H,15,16)
InChIKeyRBIPSGOSOQZBIU-UHFFFAOYSA-N
MW293.22 g/mol
LogP2.45
Rot. Bonds5

About 4-naphthalen-2-ylselanylbutanoic acid

4-naphthalen-2-ylselanylbutanoic acid (PubChem CID 102279470) has the molecular formula C14H14O2Se and a molecular weight of 293.22 g/mol. Its IUPAC name is 4-naphthalen-2-ylselanylbutanoic acid.

Molecular Properties

Compound Name4-naphthalen-2-ylselanylbutanoic acid
PubChem CID102279470
Molecular FormulaC14H14O2Se
Molecular Weight293.22 g/mol
Exact Mass294.02
IUPAC Name4-naphthalen-2-ylselanylbutanoic acid
SMILESO=C(O)CCC[Se]c1ccc2ccccc2c1
InChIInChI=1S/C14H14O2Se/c15-14(16)6-3-9-17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2,(H,15,16)
InChIKeyRBIPSGOSOQZBIU-UHFFFAOYSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

10-naphthalen-2-yldecanoic acid
CID 21478009
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
4-naphthalen-2-ylsulfinylbutanoic acid
CID 61302772
5-(naphthalen-2-ylamino)pentanoic acid
CID 28972022
8-naphthalen-2-yloxy-8-oxooctanoic acid
CID 70617046
4-[methyl-(naphthalen-2-ylamino)amino]butanoic acid
CID 154809748
6-(naphthalen-2-ylamino)hexanoic acid
CID 14979105
3-[methyl(3-naphthalen-2-yloxypropyl)amino]propanoic acid
CID 82224138
3-[2-[2-carboxyethyl(naphthalen-2-ylsulfonyl)amino]ethyl-naphthalen-2-ylsulfonylamino]propanoic acid
CID 151966350
4-(2-naphthalen-2-ylpropanoylamino)butanoic acid
CID 119352727
7-naphthalen-2-yloxyhept-1-en-2-ol;7-phenoxyheptanoic acid
CID 142555258
(E)-5-naphthalen-2-ylpent-4-enoic acid
CID 10263103

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-ylselanylbutanoic acid?
The IUPAC name of 4-naphthalen-2-ylselanylbutanoic acid (CID 102279470) is 4-naphthalen-2-ylselanylbutanoic acid.
What is the SMILES notation for 4-naphthalen-2-ylselanylbutanoic acid?
The canonical SMILES for 4-naphthalen-2-ylselanylbutanoic acid is O=C(O)CCC[Se]c1ccc2ccccc2c1.
What is the InChIKey of 4-naphthalen-2-ylselanylbutanoic acid?
The InChIKey is RBIPSGOSOQZBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2Se/c15-14(16)6-3-9-17-13-8-7-11-4-1-2-5-12(11)10-13/h1-2,4-5,7-8,10H,3,6,9H2,(H,15,16).
What are the key properties of 4-naphthalen-2-ylselanylbutanoic acid?
4-naphthalen-2-ylselanylbutanoic acid has a molecular weight of 293.22 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-ylselanylbutanoic acid is sourced from PubChem (CID 102279470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).