ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate

C12H19NO3 — CID 166441654

IUPACethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(C)C
InChIInChI=1S/C12H19NO3/c1-5-16-12(15)11-8(4)13-10(14)6-9(11)7(2)3/h7,9H,5-6H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeyXABRSADPXVECHR-SECBINFHSA-N
MW225.29 g/mol
LogP1.62
Rot. Bonds3

About ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 166441654) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID166441654
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nameethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(C)C
InChIInChI=1S/C12H19NO3/c1-5-16-12(15)11-8(4)13-10(14)6-9(11)7(2)3/h7,9H,5-6H2,1-4H3,(H,13,14)/t9-/m1/s1
InChIKeyXABRSADPXVECHR-SECBINFHSA-N
XLogP1.62
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 166441654) is ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)C[C@@H]1C(C)C.
What is the InChIKey of ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is XABRSADPXVECHR-SECBINFHSA-N. The full InChI is InChI=1S/C12H19NO3/c1-5-16-12(15)11-8(4)13-10(14)6-9(11)7(2)3/h7,9H,5-6H2,1-4H3,(H,13,14)/t9-/m1/s1.
What are the key properties of ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-6-methyl-2-oxo-4-propan-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 166441654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).