1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone

C8H13NO3 — CID 58595355

IUPAC1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](O)CN1C(C)=O
InChIInChI=1S/C8H13NO3/c1-5(10)8-3-7(12)4-9(8)6(2)11/h7-8,12H,3-4H2,1-2H3/t7-,8-/m1/s1
InChIKeyXWLIPOSNYPQJOP-HTQZYQBOSA-N
MW171.20 g/mol
LogP-0.44
Rot. Bonds1

About 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone

1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone (PubChem CID 58595355) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
PubChem CID58595355
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@H]1C[C@@H](O)CN1C(C)=O
InChIInChI=1S/C8H13NO3/c1-5(10)8-3-7(12)4-9(8)6(2)11/h7-8,12H,3-4H2,1-2H3/t7-,8-/m1/s1
InChIKeyXWLIPOSNYPQJOP-HTQZYQBOSA-N
XLogP-0.44
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-(2-acetyl-4-hydroxypyrrolidin-1-yl)-2-aminopropan-1-one
CID 166119362
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
1-[(2S,4R)-4-hydroxy-2-(sulfanylmethyl)pyrrolidin-1-yl]ethanone
CID 129013066
1-[(4R)-1-acetyl-4-tert-butylsulfanylpyrrolidin-2-yl]ethanone
CID 143025399
1-[(2S)-4-hydroxy-1-(oxoboranylmethyl)pyrrolidin-2-yl]ethanone
CID 59895144
1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one
CID 66822605
2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid
CID 69045484
(2S,4R)-1-acetyl-4-hydroxy-N-(2-phenylethyl)pyrrolidine-2-carboxamide
CID 91982515
tert-butyl (3S)-3-[(2S,4S)-2-acetyl-4-hydroxypyrrolidine-1-carbonyl]-4,4-dimethylpentanoate
CID 90444056
4-hydroxy-1-propanethioylpyrrolidine-2-carboxylic acid
CID 20648963

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone (CID 58595355) is 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone is CC(=O)[C@H]1C[C@@H](O)CN1C(C)=O.
What is the InChIKey of 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone?
The InChIKey is XWLIPOSNYPQJOP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H13NO3/c1-5(10)8-3-7(12)4-9(8)6(2)11/h7-8,12H,3-4H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone?
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone has a molecular weight of 171.20 g/mol, XLogP of -0.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone is sourced from PubChem (CID 58595355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).