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

C10H13N3O4 — CID 43431615

IUPACmethyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-12(7-9(15)17-2)8(14)6-13-5-3-4-11-10(13)16/h3-5H,6-7H2,1-2H3
InChIKeyQOUJSIRXJJXHGI-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.13
Rot. Bonds4

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

methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 43431615) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID43431615
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCOC(=O)CN(C)C(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-12(7-9(15)17-2)8(14)6-13-5-3-4-11-10(13)16/h3-5H,6-7H2,1-2H3
InChIKeyQOUJSIRXJJXHGI-UHFFFAOYSA-N
XLogP-1.13
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-(2-Oxopyrimidin-1-yl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258965
Ethyl 2-fluoro-2-(2-oxopyrimidin-1-yl)acetate
CID 81296532
Ethyl 2-(2-oxopyrimidin-1-yl)acetate
CID 13306026
2-[formyl-[2-[methyl-[(Z)-1-[(Z)-prop-2-enylideneamino]prop-1-enyl]amino]ethyl]amino]acetic acid
CID 143199348
methyl 2-(2H-pyrimidin-1-yl)acetate
CID 151979836
2-ethoxycarbonyl-2H-pyrimidine-1-carboxylic acid
CID 154000173
Methyl 2-(2-oxopyrimidin-1-yl)acetate
CID 28940056
N-(2-methoxyethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 39877725
2-[Methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
CID 43356265
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551
Methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 54899024
Ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 54900608

Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 43431615) is methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is COC(=O)CN(C)C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is QOUJSIRXJJXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-12(7-9(15)17-2)8(14)6-13-5-3-4-11-10(13)16/h3-5H,6-7H2,1-2H3.
What are the key properties of methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 239.23 g/mol, XLogP of -1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 43431615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).