methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate

C10H16N2O4 — CID 59534397

IUPACmethyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCNCC1
InChIInChI=1S/C10H16N2O4/c1-15-9(13)8-6-16-10(14)12(8)7-2-4-11-5-3-7/h7-8,11H,2-6H2,1H3/t8-/m1/s1
InChIKeyRHKSWSCCTGKOSY-MRVPVSSYSA-N
MW228.25 g/mol
LogP-0.27
Rot. Bonds2

About methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate

methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate (PubChem CID 59534397) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
PubChem CID59534397
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Namemethyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1COC(=O)N1C1CCNCC1
InChIInChI=1S/C10H16N2O4/c1-15-9(13)8-6-16-10(14)12(8)7-2-4-11-5-3-7/h7-8,11H,2-6H2,1H3/t8-/m1/s1
InChIKeyRHKSWSCCTGKOSY-MRVPVSSYSA-N
XLogP-0.27
TPSA67.87 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 ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate (CID 59534397) is methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate is COC(=O)[C@H]1COC(=O)N1C1CCNCC1.
What is the InChIKey of methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
The InChIKey is RHKSWSCCTGKOSY-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-15-9(13)8-6-16-10(14)12(8)7-2-4-11-5-3-7/h7-8,11H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate?
methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate has a molecular weight of 228.25 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-oxo-3-piperidin-4-yl-1,3-oxazolidine-4-carboxylate is sourced from PubChem (CID 59534397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).