1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone

C6H11NO2 — CID 154429079

IUPAC1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(O)CN1
InChIInChI=1S/C6H11NO2/c1-4(8)6-2-5(9)3-7-6/h5-7,9H,2-3H2,1H3/t5?,6-/m0/s1
InChIKeyQHGQCGFBYNFQEM-GDVGLLTNSA-N
MW129.16 g/mol
LogP-0.70
Rot. Bonds1

About 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone

1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone (PubChem CID 154429079) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
PubChem CID154429079
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(O)CN1
InChIInChI=1S/C6H11NO2/c1-4(8)6-2-5(9)3-7-6/h5-7,9H,2-3H2,1H3/t5?,6-/m0/s1
InChIKeyQHGQCGFBYNFQEM-GDVGLLTNSA-N
XLogP-0.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4S)-4-hydroxypyrrolidin-2-yl]ethanone;1-[(2R)-4-methoxypyrrolidin-2-yl]ethanone;1-[(2S)-4-methoxypyrrolidin-2-yl]ethanone
CID 91335246
acetyl (2S,4R)-4-hydroxypyrrolidine-2-carboxylate
CID 72698583
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 11205991
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
CID 19907192
(2S)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 68860939
1-[(1R,4S)-3-azabicyclo[4.1.0]heptan-4-yl]ethanone
CID 142076983
copper bis((2S,4R)-4-hydroxypyrrolidine-2-carboxylate)
CID 25216296
sodium (2S)-4-hydroxypyrrolidine-2-carboxylate
CID 141122108
(2S,4R)-4-hydroxypyrrolidine-2-carboxylic acid;hydroxysilane
CID 131716757
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
(2R,4S)-N-ethyl-4-hydroxypyrrolidine-2-carboxamide
CID 28943534

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone (CID 154429079) is 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CC(O)CN1.
What is the InChIKey of 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone?
The InChIKey is QHGQCGFBYNFQEM-GDVGLLTNSA-N. The full InChI is InChI=1S/C6H11NO2/c1-4(8)6-2-5(9)3-7-6/h5-7,9H,2-3H2,1H3/t5?,6-/m0/s1.
What are the key properties of 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone?
1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone has a molecular weight of 129.16 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-hydroxypyrrolidin-2-yl]ethanone is sourced from PubChem (CID 154429079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).