2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid

C7H9N3O3 — CID 14216904

IUPAC2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc(N)nc1=O
InChIInChI=1S/C7H9N3O3/c1-4(6(11)12)10-3-2-5(8)9-7(10)13/h2-4H,1H3,(H,11,12)(H2,8,9,13)
InChIKeyVTZJYYXRPPKCHO-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.53
Rot. Bonds2

About 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid

2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid (PubChem CID 14216904) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
PubChem CID14216904
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1ccc(N)nc1=O
InChIInChI=1S/C7H9N3O3/c1-4(6(11)12)10-3-2-5(8)9-7(10)13/h2-4H,1H3,(H,11,12)(H2,8,9,13)
InChIKeyVTZJYYXRPPKCHO-UHFFFAOYSA-N
XLogP-0.53
TPSA98.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid (CID 14216904) is 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid is CC(C(=O)O)n1ccc(N)nc1=O.
What is the InChIKey of 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
The InChIKey is VTZJYYXRPPKCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(6(11)12)10-3-2-5(8)9-7(10)13/h2-4H,1H3,(H,11,12)(H2,8,9,13).
What are the key properties of 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid?
2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-oxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 14216904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).