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

C10H15NO5 — CID 90896548

IUPACmethyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCOC(=O)C1C(C)C(=O)C=CN1CC(O)O
InChIInChI=1S/C10H15NO5/c1-6-7(12)3-4-11(5-8(13)14)9(6)10(15)16-2/h3-4,6,8-9,13-14H,5H2,1-2H3
InChIKeyKLTKEOKIHVFBKC-UHFFFAOYSA-N
MW229.23 g/mol
LogP-1.13
Rot. Bonds3

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

methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate (PubChem CID 90896548) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate
PubChem CID90896548
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namemethyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate
SMILESCOC(=O)C1C(C)C(=O)C=CN1CC(O)O
InChIInChI=1S/C10H15NO5/c1-6-7(12)3-4-11(5-8(13)14)9(6)10(15)16-2/h3-4,6,8-9,13-14H,5H2,1-2H3
InChIKeyKLTKEOKIHVFBKC-UHFFFAOYSA-N
XLogP-1.13
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl (2S,3S)-3-methyl-1-(4-methylphenyl)sulfonyl-4-oxo-2,3-dihydropyridine-2-carboxylate
CID 10544922
methyl (2S,3S)-3-methyl-4-oxo-1-[[(1R)-1-phenylethyl]carbamoyl]azetidine-2-carboxylate
CID 70323121
methyl (3S,4R,5S)-2-acetyl-1,4,5-trimethyl-6-oxodiazinane-3-carboxylate
CID 102463743
methyl 1-ethyl-3-methylaziridine-2-carboxylate
CID 45090005
methyl (2R,3R)-3-[(1R)-1-hydroxyethyl]-1-(4-methoxyphenyl)-4-oxoazetidine-2-carboxylate
CID 14704918
dimethyl (2S,3S)-1-chloroaziridine-2,3-dicarboxylate
CID 10330243
5,6-dimethylcyclohex-2-ene-1,4-dione
CID 130037029
methyl 5-(2-methoxy-2-oxoethyl)-2-oxo-3-(1-phenylethyl)-1,3-oxazolidine-4-carboxylate
CID 18474853
methyl 5-[(E)-hex-4-en-2-yl]-3-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 14039819
methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
methyl 3-[(1R)-1-naphthalen-1-ylethyl]-2-oxo-5-propan-2-yl-1,3-oxazolidine-4-carboxylate
CID 12010031
methyl 3-oxofuran-2-carboxylate
CID 141008195

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The IUPAC name of methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate (CID 90896548) is methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The canonical SMILES for methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate is COC(=O)C1C(C)C(=O)C=CN1CC(O)O.
What is the InChIKey of methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
The InChIKey is KLTKEOKIHVFBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-6-7(12)3-4-11(5-8(13)14)9(6)10(15)16-2/h3-4,6,8-9,13-14H,5H2,1-2H3.
What are the key properties of methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate?
methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate has a molecular weight of 229.23 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dihydroxyethyl)-3-methyl-4-oxo-2,3-dihydropyridine-2-carboxylate is sourced from PubChem (CID 90896548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).