2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid

C7H9N3O4 — CID 5123

IUPAC2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESNC(Cn1ccc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)
InChIKeyFACUYWPMDKTVFU-UHFFFAOYSA-N
MW199.17 g/mol
LogP-2.05
Rot. Bonds3

About 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid

2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid (PubChem CID 5123) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
PubChem CID5123
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid
SMILESNC(Cn1ccc(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14)
InChIKeyFACUYWPMDKTVFU-UHFFFAOYSA-N
XLogP-2.05
TPSA118.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid (CID 5123) is 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid is NC(Cn1ccc(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
The InChIKey is FACUYWPMDKTVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c8-4(6(12)13)3-10-2-1-5(11)9-7(10)14/h1-2,4H,3,8H2,(H,12,13)(H,9,11,14).
What are the key properties of 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid?
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid has a molecular weight of 199.17 g/mol, XLogP of -2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid is sourced from PubChem (CID 5123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).