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

C7H6FN3O5 — CID 15725928

IUPAC2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H6FN3O5/c8-3-2-11(7(16)10-5(3)14)6(15)9-1-4(12)13/h2H,1H2,(H,9,15)(H,12,13)(H,10,14,16)
InChIKeyKOBMAUUWDYIPKE-UHFFFAOYSA-N
MW231.14 g/mol
LogP-1.68
Rot. Bonds2

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

2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid (PubChem CID 15725928) has the molecular formula C7H6FN3O5 and a molecular weight of 231.14 g/mol. Its IUPAC name is 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
PubChem CID15725928
Molecular FormulaC7H6FN3O5
Molecular Weight231.14 g/mol
Exact Mass231.03
IUPAC Name2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C7H6FN3O5/c8-3-2-11(7(16)10-5(3)14)6(15)9-1-4(12)13/h2H,1H2,(H,9,15)(H,12,13)(H,10,14,16)
InChIKeyKOBMAUUWDYIPKE-UHFFFAOYSA-N
XLogP-1.68
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.14
LogP ≤ 5-1.68
H-Bond Donors ≤ 53
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
(5-bromo-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1212068
2-(5-Fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetic acid
CID 1378560
2-(2,6-Dioxo-1,2,3,6-tetrahydropyrimidin-1-yl)acetic acid
CID 2512745
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
2-(5-Chloro-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid
CID 66423960
5-Fluorouracilcarboxylic acid
CID 129729501
Fluorouracil-1-acetic acid
CID 141092594
Methyl 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetate
CID 12370692
5-Fluorouracil-acetic acid
CID 12844136
2(R)-(5-fluorouracil-1-yl)acetylglycin
CID 13876023

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid (CID 15725928) is 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid is O=C(O)CNC(=O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
The InChIKey is KOBMAUUWDYIPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6FN3O5/c8-3-2-11(7(16)10-5(3)14)6(15)9-1-4(12)13/h2H,1H2,(H,9,15)(H,12,13)(H,10,14,16).
What are the key properties of 2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid has a molecular weight of 231.14 g/mol, XLogP of -1.68, 2 rotatable bonds, 3 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)amino]acetic acid is sourced from PubChem (CID 15725928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).