methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate

C8H11NO3 — CID 11665473

IUPACmethyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC=CC(=O)N1
InChIInChI=1S/C8H11NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h2,4,6H,3,5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyUZRUYXGAEFFZPI-LURJTMIESA-N
MW169.18 g/mol
LogP-0.01
Rot. Bonds2

About methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate

methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate (PubChem CID 11665473) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
PubChem CID11665473
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Namemethyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate
SMILESCOC(=O)C[C@@H]1CC=CC(=O)N1
InChIInChI=1S/C8H11NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h2,4,6H,3,5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKeyUZRUYXGAEFFZPI-LURJTMIESA-N
XLogP-0.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate (CID 11665473) is methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate is COC(=O)C[C@@H]1CC=CC(=O)N1.
What is the InChIKey of methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate?
The InChIKey is UZRUYXGAEFFZPI-LURJTMIESA-N. The full InChI is InChI=1S/C8H11NO3/c1-12-8(11)5-6-3-2-4-7(10)9-6/h2,4,6H,3,5H2,1H3,(H,9,10)/t6-/m0/s1.
What are the key properties of methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate?
methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate has a molecular weight of 169.18 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-6-oxo-2,3-dihydro-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 11665473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).