2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C7H9N3O6 — CID 158457780

IUPAC2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C2H5NO2/c8-3-1-2(4(9)10)6-5(11)7-3;3-1-2(4)5/h1H,(H,9,10)(H2,6,7,8,11);1,3H2,(H,4,5)
InChIKeyHEUBRCLCLJEUNO-UHFFFAOYSA-N
MW231.16 g/mol
LogP-2.21
Rot. Bonds2

About 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid

2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 158457780) has the molecular formula C7H9N3O6 and a molecular weight of 231.16 g/mol. Its IUPAC name is 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID158457780
Molecular FormulaC7H9N3O6
Molecular Weight231.16 g/mol
Exact Mass231.05
IUPAC Name2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESNCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C5H4N2O4.C2H5NO2/c8-3-1-2(4(9)10)6-5(11)7-3;3-1-2(4)5/h1H,(H,9,10)(H2,6,7,8,11);1,3H2,(H,4,5)
InChIKeyHEUBRCLCLJEUNO-UHFFFAOYSA-N
XLogP-2.21
TPSA166.34 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.16
LogP ≤ 5-2.21
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 158457780) is 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is NCC(=O)O.O=C(O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is HEUBRCLCLJEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4.C2H5NO2/c8-3-1-2(4(9)10)6-5(11)7-3;3-1-2(4)5/h1H,(H,9,10)(H2,6,7,8,11);1,3H2,(H,4,5).
What are the key properties of 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 231.16 g/mol, XLogP of -2.21, 2 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 158457780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).