2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid

C8H8FN3O5 — CID 53328705

IUPAC2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H8FN3O5/c1-11(3-5(13)14)8(17)12-2-4(9)6(15)10-7(12)16/h2H,3H2,1H3,(H,13,14)(H,10,15,16)
InChIKeyYYKYULBAZPVNKG-UHFFFAOYSA-N
MW245.17 g/mol
LogP-1.34
Rot. Bonds2

About 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid

2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid (PubChem CID 53328705) has the molecular formula C8H8FN3O5 and a molecular weight of 245.17 g/mol. Its IUPAC name is 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
PubChem CID53328705
Molecular FormulaC8H8FN3O5
Molecular Weight245.17 g/mol
Exact Mass245.04
IUPAC Name2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H8FN3O5/c1-11(3-5(13)14)8(17)12-2-4(9)6(15)10-7(12)16/h2H,3H2,1H3,(H,13,14)(H,10,15,16)
InChIKeyYYKYULBAZPVNKG-UHFFFAOYSA-N
XLogP-1.34
TPSA112.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,4-Dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 255733
2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 853753
Ethyl 2-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetate
CID 746586
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
2-[[(2S)-2-aminopropanoyl]amino]-2-(5-fluoro-2,4-dioxo-pyrimidin-1-yl)acetic acid
CID 510393
1(2H)-pyrimidineacetic acid, 5-fluoro-3,4-dihydro-2,4-dioxo-, methyl ester
CID 637881
(5-Iodo-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-acetic acid
CID 1361763
1(2H)-Pyrimidineacetic acid, 3,4-dihydro-2,4-dioxo-5-fluoro-, pentyl ester
CID 3075295
2-(3-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 16774570
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
ethyl 2-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)acetate
CID 14118332
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid (CID 53328705) is 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
The InChIKey is YYKYULBAZPVNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN3O5/c1-11(3-5(13)14)8(17)12-2-4(9)6(15)10-7(12)16/h2H,3H2,1H3,(H,13,14)(H,10,15,16).
What are the key properties of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid?
2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid has a molecular weight of 245.17 g/mol, XLogP of -1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 53328705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).