(3R)-3-(methylamino)-4-selanylbutan-2-one

C5H11NOSe — CID 135036321

IUPAC(3R)-3-(methylamino)-4-selanylbutan-2-one
SMILESCN[C@@H](C[SeH])C(C)=O
InChIInChI=1S/C5H11NOSe/c1-4(7)5(3-8)6-2/h5-6,8H,3H2,1-2H3/t5-/m0/s1
InChIKeyNASIJFHBZMESLL-YFKPBYRVSA-N
MW180.11 g/mol
LogP-0.52
Rot. Bonds3

About (3R)-3-(methylamino)-4-selanylbutan-2-one

(3R)-3-(methylamino)-4-selanylbutan-2-one (PubChem CID 135036321) has the molecular formula C5H11NOSe and a molecular weight of 180.11 g/mol. Its IUPAC name is (3R)-3-(methylamino)-4-selanylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-(methylamino)-4-selanylbutan-2-one
PubChem CID135036321
Molecular FormulaC5H11NOSe
Molecular Weight180.11 g/mol
Exact Mass181.00
IUPAC Name(3R)-3-(methylamino)-4-selanylbutan-2-one
SMILESCN[C@@H](C[SeH])C(C)=O
InChIInChI=1S/C5H11NOSe/c1-4(7)5(3-8)6-2/h5-6,8H,3H2,1-2H3/t5-/m0/s1
InChIKeyNASIJFHBZMESLL-YFKPBYRVSA-N
XLogP-0.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.11
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-4-selanylbutan-2-one?
The IUPAC name of (3R)-3-(methylamino)-4-selanylbutan-2-one (CID 135036321) is (3R)-3-(methylamino)-4-selanylbutan-2-one.
What is the SMILES notation for (3R)-3-(methylamino)-4-selanylbutan-2-one?
The canonical SMILES for (3R)-3-(methylamino)-4-selanylbutan-2-one is CN[C@@H](C[SeH])C(C)=O.
What is the InChIKey of (3R)-3-(methylamino)-4-selanylbutan-2-one?
The InChIKey is NASIJFHBZMESLL-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H11NOSe/c1-4(7)5(3-8)6-2/h5-6,8H,3H2,1-2H3/t5-/m0/s1.
What are the key properties of (3R)-3-(methylamino)-4-selanylbutan-2-one?
(3R)-3-(methylamino)-4-selanylbutan-2-one has a molecular weight of 180.11 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-4-selanylbutan-2-one is sourced from PubChem (CID 135036321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).