2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid

C7H9N3O4 — CID 3025900

IUPAC2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
SMILESCC(N)(C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-7(8,5(12)13)3-2-4(11)10-6(14)9-3/h2H,8H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyOFPWRDYYSUHGPS-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.68
Rot. Bonds2

About 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid

2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 3025900) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID3025900
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid
SMILESCC(N)(C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C7H9N3O4/c1-7(8,5(12)13)3-2-4(11)10-6(14)9-3/h2H,8H2,1H3,(H,12,13)(H2,9,10,11,14)
InChIKeyOFPWRDYYSUHGPS-UHFFFAOYSA-N
XLogP-1.68
TPSA129.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid (CID 3025900) is 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid is CC(N)(C(=O)O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is OFPWRDYYSUHGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-7(8,5(12)13)3-2-4(11)10-6(14)9-3/h2H,8H2,1H3,(H,12,13)(H2,9,10,11,14).
What are the key properties of 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid?
2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -1.68, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2,4-dioxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 3025900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).