methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate

C12H15N3O6 — CID 62953795

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O6/c1-20-10(17)7-15(8-11(18)21-2)9(16)6-14-5-3-4-13-12(14)19/h3-5H,6-8H2,1-2H3
InChIKeyYRVDFAZREIBTEZ-UHFFFAOYSA-N
MW297.27 g/mol
LogP-1.58
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 62953795) has the molecular formula C12H15N3O6 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID62953795
Molecular FormulaC12H15N3O6
Molecular Weight297.27 g/mol
Exact Mass297.10
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O6/c1-20-10(17)7-15(8-11(18)21-2)9(16)6-14-5-3-4-13-12(14)19/h3-5H,6-8H2,1-2H3
InChIKeyYRVDFAZREIBTEZ-UHFFFAOYSA-N
XLogP-1.58
TPSA107.80 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-1.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 62953795) is methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is YRVDFAZREIBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O6/c1-20-10(17)7-15(8-11(18)21-2)9(16)6-14-5-3-4-13-12(14)19/h3-5H,6-8H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 297.27 g/mol, XLogP of -1.58, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 62953795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).