ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate

C15H19NO4 — CID 11780817

IUPACethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO4/c1-2-20-15(19)14-12(17)8-9-13(18)16(14)10-11-6-4-3-5-7-11/h3-7,12,14,17H,2,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyLNJOEUQUUIYICJ-GXTWGEPZSA-N
MW277.32 g/mol
LogP1.10
Rot. Bonds4

About ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate

ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate (PubChem CID 11780817) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
PubChem CID11780817
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate
SMILESCCOC(=O)[C@H]1[C@@H](O)CCC(=O)N1Cc1ccccc1
InChIInChI=1S/C15H19NO4/c1-2-20-15(19)14-12(17)8-9-13(18)16(14)10-11-6-4-3-5-7-11/h3-7,12,14,17H,2,8-10H2,1H3/t12-,14+/m0/s1
InChIKeyLNJOEUQUUIYICJ-GXTWGEPZSA-N
XLogP1.10
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[[(2S)-1-benzyl-5-oxopyrrolidin-2-yl]methyl]propanedioate
CID 14883639
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(2S,3S)-1-benzyl-3-ethoxycarbonylaziridine-2-carboxylic acid
CID 139695326
ethyl 4-[(1-benzyl-5-oxopyrrolidine-2-carbonyl)amino]benzoate
CID 110426669
methyl 1-benzyl-6-oxopiperidine-2-carboxylate
CID 23525582
(6S)-1-benzyl-6-propanoylpiperidin-2-one
CID 134835246
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
ethyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 12064962
ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
ethyl 1-benzyl-2-oxo-5-phenylpyrrolidine-3-carboxylate
CID 15314819

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate (CID 11780817) is ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate is CCOC(=O)[C@H]1[C@@H](O)CCC(=O)N1Cc1ccccc1.
What is the InChIKey of ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate?
The InChIKey is LNJOEUQUUIYICJ-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-2-20-15(19)14-12(17)8-9-13(18)16(14)10-11-6-4-3-5-7-11/h3-7,12,14,17H,2,8-10H2,1H3/t12-,14+/m0/s1.
What are the key properties of ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate?
ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-1-benzyl-3-hydroxy-6-oxopiperidine-2-carboxylate is sourced from PubChem (CID 11780817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).