benzyl (2S)-6-oxopiperidine-2-carboxylate

C13H15NO3 — CID 10799629

IUPACbenzyl (2S)-6-oxopiperidine-2-carboxylate
SMILESO=C1CCC[C@@H](C(=O)OCc2ccccc2)N1
InChIInChI=1S/C13H15NO3/c15-12-8-4-7-11(14-12)13(16)17-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1
InChIKeyQDFVSYNMKXCEQX-NSHDSACASA-N
MW233.27 g/mol
LogP1.40
Rot. Bonds3

About benzyl (2S)-6-oxopiperidine-2-carboxylate

benzyl (2S)-6-oxopiperidine-2-carboxylate (PubChem CID 10799629) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is benzyl (2S)-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-6-oxopiperidine-2-carboxylate
PubChem CID10799629
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Namebenzyl (2S)-6-oxopiperidine-2-carboxylate
SMILESO=C1CCC[C@@H](C(=O)OCc2ccccc2)N1
InChIInChI=1S/C13H15NO3/c15-12-8-4-7-11(14-12)13(16)17-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1
InChIKeyQDFVSYNMKXCEQX-NSHDSACASA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-6-oxopiperidine-2-carboxylate?
The IUPAC name of benzyl (2S)-6-oxopiperidine-2-carboxylate (CID 10799629) is benzyl (2S)-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for benzyl (2S)-6-oxopiperidine-2-carboxylate?
The canonical SMILES for benzyl (2S)-6-oxopiperidine-2-carboxylate is O=C1CCC[C@@H](C(=O)OCc2ccccc2)N1.
What is the InChIKey of benzyl (2S)-6-oxopiperidine-2-carboxylate?
The InChIKey is QDFVSYNMKXCEQX-NSHDSACASA-N. The full InChI is InChI=1S/C13H15NO3/c15-12-8-4-7-11(14-12)13(16)17-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,15)/t11-/m0/s1.
What are the key properties of benzyl (2S)-6-oxopiperidine-2-carboxylate?
benzyl (2S)-6-oxopiperidine-2-carboxylate has a molecular weight of 233.27 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 10799629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).