(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one

C8H15NO2 — CID 155141506

IUPAC(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
SMILESCC(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-6(10)5-8(11)7-3-2-4-9-7/h7-9,11H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyXHFAHNZUBLJWJF-JGVFFNPUSA-N
MW157.21 g/mol
LogP0.08
Rot. Bonds3

About (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one

(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one (PubChem CID 155141506) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
PubChem CID155141506
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one
SMILESCC(=O)C[C@@H](O)[C@@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-6(10)5-8(11)7-3-2-4-9-7/h7-9,11H,2-5H2,1H3/t7-,8+/m0/s1
InChIKeyXHFAHNZUBLJWJF-JGVFFNPUSA-N
XLogP0.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one?
The IUPAC name of (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one (CID 155141506) is (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one?
The canonical SMILES for (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one is CC(=O)C[C@@H](O)[C@@H]1CCCN1.
What is the InChIKey of (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one?
The InChIKey is XHFAHNZUBLJWJF-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(10)5-8(11)7-3-2-4-9-7/h7-9,11H,2-5H2,1H3/t7-,8+/m0/s1.
What are the key properties of (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one?
(4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4-[(2S)-pyrrolidin-2-yl]butan-2-one is sourced from PubChem (CID 155141506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).