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

C7H8FN5O5 — CID 123276710

IUPAC2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
SMILESNC(N)(NC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H8FN5O5/c8-2-1-13(5(17)11-3(2)14)6(18)12-7(9,10)4(15)16/h1H,9-10H2,(H,12,18)(H,15,16)(H,11,14,17)
InChIKeyZBCDDNGBSFOANN-UHFFFAOYSA-N
MW261.17 g/mol
LogP-3.11
Rot. Bonds2

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

2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid (PubChem CID 123276710) has the molecular formula C7H8FN5O5 and a molecular weight of 261.17 g/mol. Its IUPAC name is 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
PubChem CID123276710
Molecular FormulaC7H8FN5O5
Molecular Weight261.17 g/mol
Exact Mass261.05
IUPAC Name2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid
SMILESNC(N)(NC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H8FN5O5/c8-2-1-13(5(17)11-3(2)14)6(18)12-7(9,10)4(15)16/h1H,9-10H2,(H,12,18)(H,15,16)(H,11,14,17)
InChIKeyZBCDDNGBSFOANN-UHFFFAOYSA-N
XLogP-3.11
TPSA173.30 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 5-3.11
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid (CID 123276710) is 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid is NC(N)(NC(=O)n1cc(F)c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
The InChIKey is ZBCDDNGBSFOANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN5O5/c8-2-1-13(5(17)11-3(2)14)6(18)12-7(9,10)4(15)16/h1H,9-10H2,(H,12,18)(H,15,16)(H,11,14,17).
What are the key properties of 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid?
2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid has a molecular weight of 261.17 g/mol, XLogP of -3.11, 2 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diamino-2-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 123276710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).