3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid

C12H18N2O5 — CID 107072467

IUPAC3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CC(=O)N2CCOC2=O)C1C(=O)O
InChIInChI=1S/C12H18N2O5/c1-8-3-2-4-13(10(8)11(16)17)7-9(15)14-5-6-19-12(14)18/h8,10H,2-7H2,1H3,(H,16,17)
InChIKeyNKSNUAYAXSDYJZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.15
Rot. Bonds3

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

3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid (PubChem CID 107072467) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
PubChem CID107072467
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid
SMILESCC1CCCN(CC(=O)N2CCOC2=O)C1C(=O)O
InChIInChI=1S/C12H18N2O5/c1-8-3-2-4-13(10(8)11(16)17)7-9(15)14-5-6-19-12(14)18/h8,10H,2-7H2,1H3,(H,16,17)
InChIKeyNKSNUAYAXSDYJZ-UHFFFAOYSA-N
XLogP0.15
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3-methylpiperidine-2-carboxylic acid
CID 107072460
ethyl 1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylate
CID 62013054
3-methyl-1-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072049
1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-3,4-dicarboxylic acid
CID 115918754
4-hydroxy-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 114351690
3-[2-[(3S)-3-hydroxypiperidin-1-yl]acetyl]-1,3-oxazolidin-2-one
CID 107225668
3-[2-(3-amino-4-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103577185
3-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 107072416
1-(3-fluoropropyl)-3-methylpiperidine-2-carboxylic acid
CID 107072166
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785966
3-(3-cyclohexylbutanoyl)-1,3-oxazolidin-2-one
CID 102445066
3-[2-(3-hydroxy-3-methylpyrrolidin-1-yl)acetyl]-1,3-oxazolidin-2-one
CID 103358031

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid (CID 107072467) is 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid is CC1CCCN(CC(=O)N2CCOC2=O)C1C(=O)O.
What is the InChIKey of 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid?
The InChIKey is NKSNUAYAXSDYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-8-3-2-4-13(10(8)11(16)17)7-9(15)14-5-6-19-12(14)18/h8,10H,2-7H2,1H3,(H,16,17).
What are the key properties of 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid?
3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 107072467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).