methyl (4R)-2-oxopiperidine-4-carboxylate

C7H11NO3 — CID 86332884

IUPACmethyl (4R)-2-oxopiperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCNC(=O)C1
InChIInChI=1S/C7H11NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyBIESXMIFDWYKTQ-RXMQYKEDSA-N
MW157.17 g/mol
LogP-0.31
Rot. Bonds1

About methyl (4R)-2-oxopiperidine-4-carboxylate

methyl (4R)-2-oxopiperidine-4-carboxylate (PubChem CID 86332884) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl (4R)-2-oxopiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-oxopiperidine-4-carboxylate
PubChem CID86332884
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Namemethyl (4R)-2-oxopiperidine-4-carboxylate
SMILESCOC(=O)[C@@H]1CCNC(=O)C1
InChIInChI=1S/C7H11NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyBIESXMIFDWYKTQ-RXMQYKEDSA-N
XLogP-0.31
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-oxopiperidine-4-carboxylate?
The IUPAC name of methyl (4R)-2-oxopiperidine-4-carboxylate (CID 86332884) is methyl (4R)-2-oxopiperidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-oxopiperidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2-oxopiperidine-4-carboxylate is COC(=O)[C@@H]1CCNC(=O)C1.
What is the InChIKey of methyl (4R)-2-oxopiperidine-4-carboxylate?
The InChIKey is BIESXMIFDWYKTQ-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-7(10)5-2-3-8-6(9)4-5/h5H,2-4H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of methyl (4R)-2-oxopiperidine-4-carboxylate?
methyl (4R)-2-oxopiperidine-4-carboxylate has a molecular weight of 157.17 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-oxopiperidine-4-carboxylate is sourced from PubChem (CID 86332884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).