ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

C10H13FN4O5 — CID 10039725

IUPACethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(NC(=O)CN)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN4O5/c1-2-20-9(18)7(13-6(16)3-12)15-4-5(11)8(17)14-10(15)19/h4,7H,2-3,12H2,1H3,(H,13,16)(H,14,17,19)
InChIKeyWSQSCLZLNVQMTI-UHFFFAOYSA-N
MW288.24 g/mol
LogP-2.19
Rot. Bonds5

About ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate

ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (PubChem CID 10039725) has the molecular formula C10H13FN4O5 and a molecular weight of 288.24 g/mol. Its IUPAC name is ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
PubChem CID10039725
Molecular FormulaC10H13FN4O5
Molecular Weight288.24 g/mol
Exact Mass288.09
IUPAC Nameethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
SMILESCCOC(=O)C(NC(=O)CN)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C10H13FN4O5/c1-2-20-9(18)7(13-6(16)3-12)15-4-5(11)8(17)14-10(15)19/h4,7H,2-3,12H2,1H3,(H,13,16)(H,14,17,19)
InChIKeyWSQSCLZLNVQMTI-UHFFFAOYSA-N
XLogP-2.19
TPSA136.28 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.24
LogP ≤ 5-2.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate (CID 10039725) is ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is CCOC(=O)C(NC(=O)CN)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
The InChIKey is WSQSCLZLNVQMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN4O5/c1-2-20-9(18)7(13-6(16)3-12)15-4-5(11)8(17)14-10(15)19/h4,7H,2-3,12H2,1H3,(H,13,16)(H,14,17,19).
What are the key properties of ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate?
ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate has a molecular weight of 288.24 g/mol, XLogP of -2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate is sourced from PubChem (CID 10039725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).