ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate

C12H17N3O5 — CID 61022834

IUPACethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c1-3-15(7-11(18)20-4-2)10(17)6-8-5-9(16)14-12(19)13-8/h5H,3-4,6-7H2,1-2H3,(H2,13,14,16,19)
InChIKeyVOYVMCPNFVRSCE-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.98
Rot. Bonds6

About ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate

ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate (PubChem CID 61022834) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate
PubChem CID61022834
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Nameethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H17N3O5/c1-3-15(7-11(18)20-4-2)10(17)6-8-5-9(16)14-12(19)13-8/h5H,3-4,6-7H2,1-2H3,(H2,13,14,16,19)
InChIKeyVOYVMCPNFVRSCE-UHFFFAOYSA-N
XLogP-0.98
TPSA112.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate?
The IUPAC name of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate (CID 61022834) is ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate is CCOC(=O)CN(CC)C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate?
The InChIKey is VOYVMCPNFVRSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-3-15(7-11(18)20-4-2)10(17)6-8-5-9(16)14-12(19)13-8/h5H,3-4,6-7H2,1-2H3,(H2,13,14,16,19).
What are the key properties of ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate?
ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate has a molecular weight of 283.28 g/mol, XLogP of -0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]acetate is sourced from PubChem (CID 61022834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).