(4R)-4-phenylselanylpentanoic acid

C11H14O2Se — CID 101249625

IUPAC(4R)-4-phenylselanylpentanoic acid
SMILESC[C@H](CCC(=O)O)[Se]c1ccccc1
InChIInChI=1S/C11H14O2Se/c1-9(7-8-11(12)13)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyXXZJNEMZRGVGTH-SECBINFHSA-N
MW257.19 g/mol
LogP1.69
Rot. Bonds5

About (4R)-4-phenylselanylpentanoic acid

(4R)-4-phenylselanylpentanoic acid (PubChem CID 101249625) has the molecular formula C11H14O2Se and a molecular weight of 257.19 g/mol. Its IUPAC name is (4R)-4-phenylselanylpentanoic acid.

Molecular Properties

Compound Name(4R)-4-phenylselanylpentanoic acid
PubChem CID101249625
Molecular FormulaC11H14O2Se
Molecular Weight257.19 g/mol
Exact Mass258.02
IUPAC Name(4R)-4-phenylselanylpentanoic acid
SMILESC[C@H](CCC(=O)O)[Se]c1ccccc1
InChIInChI=1S/C11H14O2Se/c1-9(7-8-11(12)13)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1
InChIKeyXXZJNEMZRGVGTH-SECBINFHSA-N
XLogP1.69
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 51.69
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

(4S)-4-methyl-5-phenylselanylpentanoic acid
CID 59962587
4-methyl-5-phenylselanylpentanoic acid
CID 23379011
3-phenylselanylbutanal
CID 11831146
(4S)-4-methyl-5-phenylpentanoic acid
CID 6995676
5-hydroxy-6-phenylselanylhexacosanoic acid
CID 88711579
10-chloro-9-phenylselanyloctadecanoic acid
CID 102427331
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
(4S)-4-methyl-5-phenylsulfanylpentanoic acid
CID 154527066
5-anilino-4-methyl-5-oxopentanoic acid
CID 58720000
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
methyl 2-phenylselanylpropanoate
CID 5323788
4-(benzenecarbonothioylsulfanyl)pentanoic acid
CID 150724433

Frequently Asked Questions

What is the IUPAC name of (4R)-4-phenylselanylpentanoic acid?
The IUPAC name of (4R)-4-phenylselanylpentanoic acid (CID 101249625) is (4R)-4-phenylselanylpentanoic acid.
What is the SMILES notation for (4R)-4-phenylselanylpentanoic acid?
The canonical SMILES for (4R)-4-phenylselanylpentanoic acid is C[C@H](CCC(=O)O)[Se]c1ccccc1.
What is the InChIKey of (4R)-4-phenylselanylpentanoic acid?
The InChIKey is XXZJNEMZRGVGTH-SECBINFHSA-N. The full InChI is InChI=1S/C11H14O2Se/c1-9(7-8-11(12)13)14-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (4R)-4-phenylselanylpentanoic acid?
(4R)-4-phenylselanylpentanoic acid has a molecular weight of 257.19 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-phenylselanylpentanoic acid is sourced from PubChem (CID 101249625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).