1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid

C12H16N2O7 — CID 115918754

IUPAC1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCOC2=O)CC1C(=O)O
InChIInChI=1S/C12H16N2O7/c15-9(14-3-4-21-12(14)20)6-13-2-1-7(10(16)17)8(5-13)11(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19)
InChIKeyZVFRSSMZNBPBQW-UHFFFAOYSA-N
MW300.27 g/mol
LogP-0.93
Rot. Bonds4

About 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid

1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid (PubChem CID 115918754) has the molecular formula C12H16N2O7 and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
PubChem CID115918754
Molecular FormulaC12H16N2O7
Molecular Weight300.27 g/mol
Exact Mass300.10
IUPAC Name1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
SMILESO=C(O)C1CCN(CC(=O)N2CCOC2=O)CC1C(=O)O
InChIInChI=1S/C12H16N2O7/c15-9(14-3-4-21-12(14)20)6-13-2-1-7(10(16)17)8(5-13)11(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19)
InChIKeyZVFRSSMZNBPBQW-UHFFFAOYSA-N
XLogP-0.93
TPSA124.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid with MolForge

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Related Compounds

3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
3-[1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidin-4-yl]propanoic acid
CID 62216172
3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103577185
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
CID 107072467
3-[2-[2-(1-aminoethyl)morpholin-4-yl]acetyl]-1,3-oxazolidin-2-one
CID 113285046
4-hydroxy-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 114351690
2-[4-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperazin-1-yl]propanoic acid
CID 62312465
1-(oxan-4-ylmethyl)piperidine-3,4-dicarboxylic acid
CID 112568256
3-[2-(2-hydroxyethylsulfanyl)acetyl]-1,3-oxazolidin-2-one
CID 43393676
1-[2-(ethylamino)-2-oxoethyl]piperidine-3,4-dicarboxylic acid
CID 112568166
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103358031
4-[[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]amino]cyclohexane-1-carboxylic acid
CID 60810212

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid?
The IUPAC name of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid (CID 115918754) is 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid is O=C(O)C1CCN(CC(=O)N2CCOC2=O)CC1C(=O)O.
What is the InChIKey of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid?
The InChIKey is ZVFRSSMZNBPBQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O7/c15-9(14-3-4-21-12(14)20)6-13-2-1-7(10(16)17)8(5-13)11(18)19/h7-8H,1-6H2,(H,16,17)(H,18,19).
What are the key properties of 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid?
1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid has a molecular weight of 300.27 g/mol, XLogP of -0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid is sourced from PubChem (CID 115918754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).