ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)

C14H25NO6Y2 — CID 162200540

IUPACethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)
SMILESC.CC.CCC(=O)C1C(OC=O)C(C(=O)NC)C1C(=O)O.[Y].[Y]
InChIInChI=1S/C11H15NO6.C2H6.CH4.2Y/c1-3-5(14)6-7(11(16)17)8(10(15)12-2)9(6)18-4-13;1-2;;;/h4,6-9H,3H2,1-2H3,(H,12,15)(H,16,17);1-2H3;1H4;;
InChIKeyZRNFYKYLFHQAAK-UHFFFAOYSA-N
MW481.17 g/mol
LogP0.86
Rot. Bonds6

About ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)

ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium) (PubChem CID 162200540) has the molecular formula C14H25NO6Y2 and a molecular weight of 481.17 g/mol. Its IUPAC name is ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium).

Molecular Properties

Compound Nameethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)
PubChem CID162200540
Molecular FormulaC14H25NO6Y2
Molecular Weight481.17 g/mol
Exact Mass480.98
IUPAC Nameethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)
SMILESC.CC.CCC(=O)C1C(OC=O)C(C(=O)NC)C1C(=O)O.[Y].[Y]
InChIInChI=1S/C11H15NO6.C2H6.CH4.2Y/c1-3-5(14)6-7(11(16)17)8(10(15)12-2)9(6)18-4-13;1-2;;;/h4,6-9H,3H2,1-2H3,(H,12,15)(H,16,17);1-2H3;1H4;;
InChIKeyZRNFYKYLFHQAAK-UHFFFAOYSA-N
XLogP0.86
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.17
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-propanoylcyclohexane-1-carboxamide
CID 170174898
cyclobutane;3,4-diacetylcyclobutane-1,2-dicarboxylic acid;methane;bis(N-methylmethanamine);yttrium
CID 162029253
(1S,2R,4R)-3-propanoylbicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 130996457
CID 89404179
CID 89404179
N-methyl-4-[2-(methylamino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 155198720
3-methyl-4-[4-(methylcarbamoyl)piperidin-1-yl]but-2-enoic acid
CID 77005834
5-methylcyclopentane-1,2,3,4-tetracarboxylic acid
CID 20514196
4-fluoro-2-propanoylcyclopentane-1-carboxylic acid
CID 130417348
ethane;methane;N-methylacetamide;propane;tetrakis(propan-2-one);hydroiodide
CID 158401112
1-[3-(methylamino)cyclobutyl]propan-1-one
CID 165469771
2-propanoylcyclopropane-1-carboxylic acid
CID 68524876
2-(methylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084193

Frequently Asked Questions

What is the IUPAC name of ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)?
The IUPAC name of ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium) (CID 162200540) is ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium).
What is the SMILES notation for ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)?
The canonical SMILES for ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium) is C.CC.CCC(=O)C1C(OC=O)C(C(=O)NC)C1C(=O)O.[Y].[Y].
What is the InChIKey of ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)?
The InChIKey is ZRNFYKYLFHQAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6.C2H6.CH4.2Y/c1-3-5(14)6-7(11(16)17)8(10(15)12-2)9(6)18-4-13;1-2;;;/h4,6-9H,3H2,1-2H3,(H,12,15)(H,16,17);1-2H3;1H4;;.
What are the key properties of ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium)?
ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium) has a molecular weight of 481.17 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-formyloxy-2-(methylcarbamoyl)-4-propanoylcyclobutane-1-carboxylic acid;methane;bis(yttrium) is sourced from PubChem (CID 162200540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).