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

C10H15NO3 — CID 162419725

IUPACethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(=O)C[C@@H]1CC
InChIInChI=1S/C10H15NO3/c1-3-8-7-9(12)5-6-11(8)10(13)14-4-2/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyOWXZUHBVDHDBKT-QMMMGPOBSA-N
MW197.23 g/mol
LogP1.71
Rot. Bonds2

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

ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate (PubChem CID 162419725) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate.

Molecular Properties

Compound Nameethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
PubChem CID162419725
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate
SMILESCCOC(=O)N1C=CC(=O)C[C@@H]1CC
InChIInChI=1S/C10H15NO3/c1-3-8-7-9(12)5-6-11(8)10(13)14-4-2/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1
InChIKeyOWXZUHBVDHDBKT-QMMMGPOBSA-N
XLogP1.71
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The IUPAC name of ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate (CID 162419725) is ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate.
What is the SMILES notation for ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The canonical SMILES for ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate is CCOC(=O)N1C=CC(=O)C[C@@H]1CC.
What is the InChIKey of ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
The InChIKey is OWXZUHBVDHDBKT-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-8-7-9(12)5-6-11(8)10(13)14-4-2/h5-6,8H,3-4,7H2,1-2H3/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate?
ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate has a molecular weight of 197.23 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-ethyl-4-oxo-2,3-dihydropyridine-1-carboxylate is sourced from PubChem (CID 162419725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).