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

C11H15N3O4 — CID 61342584

IUPACethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-3-18-10(16)8(2)13-9(15)7-14-6-4-5-12-11(14)17/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyVVZFLFRKDISQFN-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.69
Rot. Bonds5

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

ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (PubChem CID 61342584) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
PubChem CID61342584
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate
SMILESCCOC(=O)C(C)NC(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-3-18-10(16)8(2)13-9(15)7-14-6-4-5-12-11(14)17/h4-6,8H,3,7H2,1-2H3,(H,13,15)
InChIKeyVVZFLFRKDISQFN-UHFFFAOYSA-N
XLogP-0.69
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The IUPAC name of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate (CID 61342584) is ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate.
What is the SMILES notation for ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The canonical SMILES for ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate is CCOC(=O)C(C)NC(=O)Cn1cccnc1=O.
What is the InChIKey of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
The InChIKey is VVZFLFRKDISQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-3-18-10(16)8(2)13-9(15)7-14-6-4-5-12-11(14)17/h4-6,8H,3,7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate?
ethyl 2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoate has a molecular weight of 253.26 g/mol, XLogP of -0.69, 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]propanoate is sourced from PubChem (CID 61342584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).