methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate

C10H13N3O4S — CID 56963835

IUPACmethyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccc(SC)nc1=O
InChIInChI=1S/C10H13N3O4S/c1-17-9(15)5-11-7(14)6-13-4-3-8(18-2)12-10(13)16/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyUYAFOPHFINXTCA-UHFFFAOYSA-N
MW271.30 g/mol
LogP-0.75
Rot. Bonds5

About methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate

methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 56963835) has the molecular formula C10H13N3O4S and a molecular weight of 271.30 g/mol. Its IUPAC name is methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID56963835
Molecular FormulaC10H13N3O4S
Molecular Weight271.30 g/mol
Exact Mass271.06
IUPAC Namemethyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CNC(=O)Cn1ccc(SC)nc1=O
InChIInChI=1S/C10H13N3O4S/c1-17-9(15)5-11-7(14)6-13-4-3-8(18-2)12-10(13)16/h3-4H,5-6H2,1-2H3,(H,11,14)
InChIKeyUYAFOPHFINXTCA-UHFFFAOYSA-N
XLogP-0.75
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl (2S)-3-methyl-2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]butanoate
CID 56963836
Methyl 2-[[2-(6-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 56963938
Methyl 2-[[2-(5-methyl-4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 56963942
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 56963835) is methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CNC(=O)Cn1ccc(SC)nc1=O.
What is the InChIKey of methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is UYAFOPHFINXTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4S/c1-17-9(15)5-11-7(14)6-13-4-3-8(18-2)12-10(13)16/h3-4H,5-6H2,1-2H3,(H,11,14).
What are the key properties of methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 271.30 g/mol, XLogP of -0.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(4-methylsulfanyl-2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 56963835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).