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

C9H11N3O4 — CID 43431551

IUPACmethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c1-16-8(14)5-11-7(13)6-12-4-2-3-10-9(12)15/h2-4H,5-6H2,1H3,(H,11,13)
InChIKeyOQOYHHYJZQOLMX-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.47
Rot. Bonds4

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

methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 43431551) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID43431551
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Namemethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c1-16-8(14)5-11-7(13)6-12-4-2-3-10-9(12)15/h2-4H,5-6H2,1H3,(H,11,13)
InChIKeyOQOYHHYJZQOLMX-UHFFFAOYSA-N
XLogP-1.47
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 122132565
Methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 56963835
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
2-acetamidoethyl 2H-pyrimidine-1-carboxylate
CID 140164796
Ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460115
Fermium;2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetic acid
CID 166460116
N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39877725
N-(3-methoxypropyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39891646
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43354446
2-[[2-(2-Oxopyrimidin-1-yl)acetyl]amino]propanoic acid
CID 43355310
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
Methyl 3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 43431554

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 43431551) is methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is OQOYHHYJZQOLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c1-16-8(14)5-11-7(13)6-12-4-2-3-10-9(12)15/h2-4H,5-6H2,1H3,(H,11,13).
What are the key properties of methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 225.20 g/mol, XLogP of -1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 43431551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).