2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid

C7H9N3O4 — CID 15218503

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c11-5(12)3-8-1-4-2-9-7(14)10-6(4)13/h2,8H,1,3H2,(H,11,12)(H2,9,10,13,14)
InChIKeySGAKLDIYNFXTCK-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.76
Rot. Bonds4

About 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid

2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid (PubChem CID 15218503) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid
PubChem CID15218503
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c11-5(12)3-8-1-4-2-9-7(14)10-6(4)13/h2,8H,1,3H2,(H,11,12)(H2,9,10,13,14)
InChIKeySGAKLDIYNFXTCK-UHFFFAOYSA-N
XLogP-1.76
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid (CID 15218503) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid is O=C(O)CNCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
The InChIKey is SGAKLDIYNFXTCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c11-5(12)3-8-1-4-2-9-7(14)10-6(4)13/h2,8H,1,3H2,(H,11,12)(H2,9,10,13,14).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.76, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)methylamino]acetic acid is sourced from PubChem (CID 15218503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).