2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid

C8H9FN4O5 — CID 10106651

IUPAC2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESNCC(=O)NC(C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN4O5/c9-3-2-13(8(18)12-6(3)15)5(7(16)17)11-4(14)1-10/h2,5H,1,10H2,(H,11,14)(H,16,17)(H,12,15,18)
InChIKeyWTEUDXJHTXBNKY-UHFFFAOYSA-N
MW260.18 g/mol
LogP-2.67
Rot. Bonds4

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

2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 10106651) has the molecular formula C8H9FN4O5 and a molecular weight of 260.18 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID10106651
Molecular FormulaC8H9FN4O5
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESNCC(=O)NC(C(=O)O)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H9FN4O5/c9-3-2-13(8(18)12-6(3)15)5(7(16)17)11-4(14)1-10/h2,5H,1,10H2,(H,11,14)(H,16,17)(H,12,15,18)
InChIKeyWTEUDXJHTXBNKY-UHFFFAOYSA-N
XLogP-2.67
TPSA147.28 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 5-2.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

Acetamide, 2-(5-fluoro-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-N-(2-hydroxyethyl)-
CID 3150928
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
2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)acetic acid
CID 16037827
L-alanyl-2-(5-fluorouracil-1-yl)-D-glycine
CID 510392
Orotyl-glycyl-glycine
CID 12921164
(S)-2-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)propanamido)acetic acid
CID 44413656
5-Fluorouracil-acetic acid
CID 12844136
2(R)-(5-fluorouracil-1-yl)acetylglycin
CID 13876023
Methyl 2-[[2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetate
CID 101652514
L-alanyl-2-(5-fluorouracil-1-yl)-L-glycine
CID 510391
Ethyl 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 10039725

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid (CID 10106651) is 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is NCC(=O)NC(C(=O)O)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is WTEUDXJHTXBNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O5/c9-3-2-13(8(18)12-6(3)15)5(7(16)17)11-4(14)1-10/h2,5H,1,10H2,(H,11,14)(H,16,17)(H,12,15,18).
What are the key properties of 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid?
2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 260.18 g/mol, XLogP of -2.67, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 10106651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).