1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone

C7H13NO2 — CID 59918461

IUPAC1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(O)CN1C
InChIInChI=1S/C7H13NO2/c1-5(9)7-3-6(10)4-8(7)2/h6-7,10H,3-4H2,1-2H3/t6?,7-/m0/s1
InChIKeySMDIJEIEVNLYCU-MLWJPKLSSA-N
MW143.19 g/mol
LogP-0.36
Rot. Bonds1

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

1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone (PubChem CID 59918461) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
PubChem CID59918461
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
SMILESCC(=O)[C@@H]1CC(O)CN1C
InChIInChI=1S/C7H13NO2/c1-5(9)7-3-6(10)4-8(7)2/h6-7,10H,3-4H2,1-2H3/t6?,7-/m0/s1
InChIKeySMDIJEIEVNLYCU-MLWJPKLSSA-N
XLogP-0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Betonicine
CID 164642
4-hydroxy-N-methylproline
CID 11768700
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 9860390
Turicine
CID 6560290
(2s,4r)-4-Hydroxy-1,1-Dimethylpyrrolidinium-2-Carboxylate
CID 164643
(4S)-4-Hydroxy-1-methyl-D-proline
CID 12313446
(2R,4S)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate
CID 6604261
L-Turicine
CID 1550239
4-Hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 237040
(4R)-4-Hydroxy-1-methyl-D-proline
CID 58493970
4-Hydroxy-methylprolin
CID 11499239
(2R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 67743729

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone?
The IUPAC name of 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone (CID 59918461) is 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone is CC(=O)[C@@H]1CC(O)CN1C.
What is the InChIKey of 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone?
The InChIKey is SMDIJEIEVNLYCU-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(9)7-3-6(10)4-8(7)2/h6-7,10H,3-4H2,1-2H3/t6?,7-/m0/s1.
What are the key properties of 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone?
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone has a molecular weight of 143.19 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone is sourced from PubChem (CID 59918461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).