ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H24N2O6 — CID 27907634

IUPACethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)NC(=O)NC1
InChIInChI=1S/C18H24N2O6/c1-2-25-17(23)13-8-19-18(24)20-14(13)9-26-16(22)12-6-10-4-3-5-11(7-12)15(10)21/h10-12H,2-9H2,1H3,(H2,19,20,24)/t10-,11+,12?
InChIKeyIUYDMEQEONVWIS-FOSCPWQOSA-N
MW364.40 g/mol
LogP1.05
Rot. Bonds5

About ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 27907634) has the molecular formula C18H24N2O6 and a molecular weight of 364.40 g/mol. Its IUPAC name is ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID27907634
Molecular FormulaC18H24N2O6
Molecular Weight364.40 g/mol
Exact Mass364.16
IUPAC Nameethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)NC(=O)NC1
InChIInChI=1S/C18H24N2O6/c1-2-25-17(23)13-8-19-18(24)20-14(13)9-26-16(22)12-6-10-4-3-5-11(7-12)15(10)21/h10-12H,2-9H2,1H3,(H2,19,20,24)/t10-,11+,12?
InChIKeyIUYDMEQEONVWIS-FOSCPWQOSA-N
XLogP1.05
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

bis[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl] (E)-but-2-enedioate
CID 27922681
ethyl 6-[(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46648488
ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8550075
ethyl 6-[(3,4-diethoxybenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27913494
ethyl 6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43063487
[3-[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)oxymethyl]phenyl]methyl 9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 42971408
ethyl 6-[[2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46573922
ethyl 2-oxo-6-[(2,3,4-trimethoxybenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27912503
ethyl 6-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 47073444
ethyl 6-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 71891914
ethyl 6-[3-(benzenesulfonyl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 22109614
ethyl 6-[(2-chloro-5-methylphenoxy)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 38861333

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 27907634) is ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)NC(=O)NC1.
What is the InChIKey of ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is IUYDMEQEONVWIS-FOSCPWQOSA-N. The full InChI is InChI=1S/C18H24N2O6/c1-2-25-17(23)13-8-19-18(24)20-14(13)9-26-16(22)12-6-10-4-3-5-11(7-12)15(10)21/h10-12H,2-9H2,1H3,(H2,19,20,24)/t10-,11+,12?.
What are the key properties of ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-6-[[(1R,5S)-9-oxobicyclo[3.3.1]nonane-3-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 27907634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).