1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one

C16H31NO6Si — CID 66822605

IUPAC1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one
SMILESCCO[Si](CCCC(=O)[C@@H]1CC(O)CN1C(C)=O)(OCC)OCC
InChIInChI=1S/C16H31NO6Si/c1-5-21-24(22-6-2,23-7-3)10-8-9-16(20)15-11-14(19)12-17(15)13(4)18/h14-15,19H,5-12H2,1-4H3/t14?,15-/m0/s1
InChIKeyFCXJKUAMUAVQIA-LOACHALJSA-N
MW361.51 g/mol
LogP1.37
Rot. Bonds11

About 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one

1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one (PubChem CID 66822605) has the molecular formula C16H31NO6Si and a molecular weight of 361.51 g/mol. Its IUPAC name is 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one.

Molecular Properties

Compound Name1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one
PubChem CID66822605
Molecular FormulaC16H31NO6Si
Molecular Weight361.51 g/mol
Exact Mass361.19
IUPAC Name1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one
SMILESCCO[Si](CCCC(=O)[C@@H]1CC(O)CN1C(C)=O)(OCC)OCC
InChIInChI=1S/C16H31NO6Si/c1-5-21-24(22-6-2,23-7-3)10-8-9-16(20)15-11-14(19)12-17(15)13(4)18/h14-15,19H,5-12H2,1-4H3/t14?,15-/m0/s1
InChIKeyFCXJKUAMUAVQIA-LOACHALJSA-N
XLogP1.37
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.51
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-hexadecanoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 3925551
(2S)-4-hydroxy-1-icosanoylpyrrolidine-2-carboxylic acid
CID 57258190
(2S,4R)-4-hydroxy-1-octadecanoylpyrrolidine-2-carboxylic acid;methanol
CID 175485111
(2R,4S)-N-dodecyl-4-hydroxy-1-tetradecanoylpyrrolidine-2-carboxamide
CID 11591557
methyl 1-heptanoyl-4-hydroxypyrrolidine-2-carboxylate
CID 112632311
1-[(2S,4R)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]tridecane-1,12-dione
CID 126580608
1-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]tridecane-1,12-dione
CID 155003231
2-[(1-acetyl-4-hydroxypyrrolidine-2-carbonyl)amino]-5-aminopentanoic acid
CID 69045484
1-[(2S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]hexadecan-1-one
CID 170241396

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one?
The IUPAC name of 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one (CID 66822605) is 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one.
What is the SMILES notation for 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one?
The canonical SMILES for 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one is CCO[Si](CCCC(=O)[C@@H]1CC(O)CN1C(C)=O)(OCC)OCC.
What is the InChIKey of 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one?
The InChIKey is FCXJKUAMUAVQIA-LOACHALJSA-N. The full InChI is InChI=1S/C16H31NO6Si/c1-5-21-24(22-6-2,23-7-3)10-8-9-16(20)15-11-14(19)12-17(15)13(4)18/h14-15,19H,5-12H2,1-4H3/t14?,15-/m0/s1.
What are the key properties of 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one?
1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one has a molecular weight of 361.51 g/mol, XLogP of 1.37, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-acetyl-4-hydroxypyrrolidin-2-yl]-4-triethoxysilylbutan-1-one is sourced from PubChem (CID 66822605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).