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

C11H15N3O4 — CID 54979639

IUPACmethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-3-13(8-10(16)18-2)9(15)7-14-6-4-5-12-11(14)17/h4-6H,3,7-8H2,1-2H3
InChIKeyBKMBHRGUCYRBED-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.74
Rot. Bonds5

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

methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 54979639) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID54979639
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCN(CC(=O)OC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-3-13(8-10(16)18-2)9(15)7-14-6-4-5-12-11(14)17/h4-6H,3,7-8H2,1-2H3
InChIKeyBKMBHRGUCYRBED-UHFFFAOYSA-N
XLogP-0.74
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.74
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 2-[methyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431615
Methyl 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
CID 54899024

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 54979639) is methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is CCN(CC(=O)OC)C(=O)Cn1cccnc1=O.
What is the InChIKey of methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is BKMBHRGUCYRBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-13(8-10(16)18-2)9(15)7-14-6-4-5-12-11(14)17/h4-6H,3,7-8H2,1-2H3.
What are the key properties of methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 253.26 g/mol, XLogP of -0.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 54979639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).