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

C12H17N3O4 — CID 54900608

IUPACethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-3-14(9-11(17)19-4-2)10(16)8-15-7-5-6-13-12(15)18/h5-7H,3-4,8-9H2,1-2H3
InChIKeyFIFCFOURHQKSRU-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.35
Rot. Bonds6

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

ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (PubChem CID 54900608) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
PubChem CID54900608
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nameethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate
SMILESCCOC(=O)CN(CC)C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H17N3O4/c1-3-14(9-11(17)19-4-2)10(16)8-15-7-5-6-13-12(15)18/h5-7H,3-4,8-9H2,1-2H3
InChIKeyFIFCFOURHQKSRU-UHFFFAOYSA-N
XLogP-0.35
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate (CID 54900608) is ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is CCOC(=O)CN(CC)C(=O)Cn1cccnc1=O.
What is the InChIKey of ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
The InChIKey is FIFCFOURHQKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-3-14(9-11(17)19-4-2)10(16)8-15-7-5-6-13-12(15)18/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate?
ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate has a molecular weight of 267.28 g/mol, XLogP of -0.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetate is sourced from PubChem (CID 54900608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).