methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate

C11H16N2O4 — CID 68503801

IUPACmethyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1C
InChIInChI=1S/C11H16N2O4/c1-7-5-8(9-6-10(14)12-17-9)3-4-13(7)11(15)16-2/h6-8H,3-5H2,1-2H3,(H,12,14)/t7-,8+/m0/s1
InChIKeyZPTNRFJTFMATFW-JGVFFNPUSA-N
MW240.26 g/mol
LogP1.30
Rot. Bonds1

About methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate

methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate (PubChem CID 68503801) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
PubChem CID68503801
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1C
InChIInChI=1S/C11H16N2O4/c1-7-5-8(9-6-10(14)12-17-9)3-4-13(7)11(15)16-2/h6-8H,3-5H2,1-2H3,(H,12,14)/t7-,8+/m0/s1
InChIKeyZPTNRFJTFMATFW-JGVFFNPUSA-N
XLogP1.30
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The IUPAC name of methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate (CID 68503801) is methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate.
What is the SMILES notation for methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The canonical SMILES for methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate is COC(=O)N1CC[C@@H](c2cc(=O)[nH]o2)C[C@@H]1C.
What is the InChIKey of methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
The InChIKey is ZPTNRFJTFMATFW-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-7-5-8(9-6-10(14)12-17-9)3-4-13(7)11(15)16-2/h6-8H,3-5H2,1-2H3,(H,12,14)/t7-,8+/m0/s1.
What are the key properties of methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate?
methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-2-methyl-4-(3-oxo-1,2-oxazol-5-yl)piperidine-1-carboxylate is sourced from PubChem (CID 68503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).