methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate

C19H24N4O6 — CID 56542399

IUPACmethyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O6/c1-19(17(26)28-4,11-29-12-8-6-5-7-9-12)21-10-13(24)14-15(20)22(2)18(27)23(3)16(14)25/h5-9,21H,10-11,20H2,1-4H3
InChIKeyOMOFPWSOWILIFT-UHFFFAOYSA-N
MW404.42 g/mol
LogP-0.55
Rot. Bonds8

About methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate

methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate (PubChem CID 56542399) has the molecular formula C19H24N4O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
PubChem CID56542399
Molecular FormulaC19H24N4O6
Molecular Weight404.42 g/mol
Exact Mass404.17
IUPAC Namemethyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate
SMILESCOC(=O)C(C)(COc1ccccc1)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C19H24N4O6/c1-19(17(26)28-4,11-29-12-8-6-5-7-9-12)21-10-13(24)14-15(20)22(2)18(27)23(3)16(14)25/h5-9,21H,10-11,20H2,1-4H3
InChIKeyOMOFPWSOWILIFT-UHFFFAOYSA-N
XLogP-0.55
TPSA134.65 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The IUPAC name of methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate (CID 56542399) is methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate.
What is the SMILES notation for methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The canonical SMILES for methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate is COC(=O)C(C)(COc1ccccc1)NCC(=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
The InChIKey is OMOFPWSOWILIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O6/c1-19(17(26)28-4,11-29-12-8-6-5-7-9-12)21-10-13(24)14-15(20)22(2)18(27)23(3)16(14)25/h5-9,21H,10-11,20H2,1-4H3.
What are the key properties of methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate?
methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate has a molecular weight of 404.42 g/mol, XLogP of -0.55, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl]amino]-2-methyl-3-phenoxypropanoate is sourced from PubChem (CID 56542399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).