3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid

C16H23N3O6 — CID 120700267

IUPAC3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)O)C1(C)C
InChIInChI=1S/C16H23N3O6/c1-5-25-10-8-16(13(22)23,15(10,2)3)17-11(20)9-19-7-6-12(21)18(4)14(19)24/h6-7,10H,5,8-9H2,1-4H3,(H,17,20)(H,22,23)
InChIKeyOGEOPCMQZYHPOM-UHFFFAOYSA-N
MW353.38 g/mol
LogP-0.68
Rot. Bonds6

About 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid

3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid (PubChem CID 120700267) has the molecular formula C16H23N3O6 and a molecular weight of 353.38 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
PubChem CID120700267
Molecular FormulaC16H23N3O6
Molecular Weight353.38 g/mol
Exact Mass353.16
IUPAC Name3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid
SMILESCCOC1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)O)C1(C)C
InChIInChI=1S/C16H23N3O6/c1-5-25-10-8-16(13(22)23,15(10,2)3)17-11(20)9-19-7-6-12(21)18(4)14(19)24/h6-7,10H,5,8-9H2,1-4H3,(H,17,20)(H,22,23)
InChIKeyOGEOPCMQZYHPOM-UHFFFAOYSA-N
XLogP-0.68
TPSA119.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid (CID 120700267) is 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid is CCOC1CC(NC(=O)Cn2ccc(=O)n(C)c2=O)(C(=O)O)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
The InChIKey is OGEOPCMQZYHPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O6/c1-5-25-10-8-16(13(22)23,15(10,2)3)17-11(20)9-19-7-6-12(21)18(4)14(19)24/h6-7,10H,5,8-9H2,1-4H3,(H,17,20)(H,22,23).
What are the key properties of 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid?
3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid has a molecular weight of 353.38 g/mol, XLogP of -0.68, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-1-[[2-(3-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120700267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).