3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one

C10H16N2O4 — CID 103358031

IUPAC3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1(O)CCN(CC(=O)N2CCOC2=O)C1
InChIInChI=1S/C10H16N2O4/c1-10(15)2-3-11(7-10)6-8(13)12-4-5-16-9(12)14/h15H,2-7H2,1H3
InChIKeySCBIYWUBGXVAQZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.58
Rot. Bonds2

About 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one

3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 103358031) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
PubChem CID103358031
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
SMILESCC1(O)CCN(CC(=O)N2CCOC2=O)C1
InChIInChI=1S/C10H16N2O4/c1-10(15)2-3-11(7-10)6-8(13)12-4-5-16-9(12)14/h15H,2-7H2,1H3
InChIKeySCBIYWUBGXVAQZ-UHFFFAOYSA-N
XLogP-0.58
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3-hydroxy-3-methylpiperidin-1-yl)acetyl]imidazolidin-2-one
CID 115873490
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(4-methylpiperazin-1-yl)ethanone
CID 103897872
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728544
2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid
CID 62312465
3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103577185
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
3-(3-methylbutanoyl)-1,3-oxazolidin-2-one
CID 10352137
N,N-diethyl-2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetamide
CID 103728785
3-[2-[2-(1-aminoethyl)morpholin-4-yl]acetyl]-1,3-oxazolidin-2-one
CID 113285046
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)ethanone
CID 103728470
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 62216172

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one (CID 103358031) is 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one is CC1(O)CCN(CC(=O)N2CCOC2=O)C1.
What is the InChIKey of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is SCBIYWUBGXVAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-10(15)2-3-11(7-10)6-8(13)12-4-5-16-9(12)14/h15H,2-7H2,1H3.
What are the key properties of 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one?
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 228.25 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 103358031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).