methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate

C9H13NO3 — CID 166446133

IUPACmethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC[C@H]1CC(=O)C=CN1C(=O)OC
InChIInChI=1S/C9H13NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h4-5,7H,3,6H2,1-2H3/t7-/m0/s1
InChIKeyHVTIQABIEFAVGE-ZETCQYMHSA-N
MW183.21 g/mol
LogP1.32
Rot. Bonds1

About methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate

methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 166446133) has the molecular formula C9H13NO3 and a molecular weight of 183.21 g/mol. Its IUPAC name is methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID166446133
Molecular FormulaC9H13NO3
Molecular Weight183.21 g/mol
Exact Mass183.09
IUPAC Namemethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCC[C@H]1CC(=O)C=CN1C(=O)OC
InChIInChI=1S/C9H13NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h4-5,7H,3,6H2,1-2H3/t7-/m0/s1
InChIKeyHVTIQABIEFAVGE-ZETCQYMHSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate (CID 166446133) is methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate is CC[C@H]1CC(=O)C=CN1C(=O)OC.
What is the InChIKey of methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is HVTIQABIEFAVGE-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H13NO3/c1-3-7-6-8(11)4-5-10(7)9(12)13-2/h4-5,7H,3,6H2,1-2H3/t7-/m0/s1.
What are the key properties of methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 183.21 g/mol, XLogP of 1.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 166446133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).