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

C10H13N3O4 — CID 60811643

IUPACethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-2-17-9(15)6-12-8(14)7-13-5-3-4-11-10(13)16/h3-5H,2,6-7H2,1H3,(H,12,14)
InChIKeyVOPFZWORBWZGEN-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.08
Rot. Bonds5

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

ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 60811643) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID60811643
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Nameethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1cccnc1=O
InChIInChI=1S/C10H13N3O4/c1-2-17-9(15)6-12-8(14)7-13-5-3-4-11-10(13)16/h3-5H,2,6-7H2,1H3,(H,12,14)
InChIKeyVOPFZWORBWZGEN-UHFFFAOYSA-N
XLogP-1.08
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.08
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
Ethyl 2-(2-oxopyrimidin-1-yl)acetate
CID 13306026
2-(2H-pyrimidine-1-carbonylamino)ethyl acetate
CID 69721279
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate
CID 70376493
2-acetamidoethyl 2H-pyrimidine-1-carboxylate
CID 140164796
Fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460079
Ethane;fermium;prop-2-enyl 2-[2-(oxomethylamino)ethyl-[3-(2-oxopyrimidin-1-yl)propanoyl]amino]acetate
CID 166460115
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
Methyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
CID 43431551

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 60811643) is ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1cccnc1=O.
What is the InChIKey of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is VOPFZWORBWZGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-2-17-9(15)6-12-8(14)7-13-5-3-4-11-10(13)16/h3-5H,2,6-7H2,1H3,(H,12,14).
What are the key properties of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 239.23 g/mol, XLogP of -1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 60811643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).