2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid

C7H9N3O5 — CID 90714503

IUPAC2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid
SMILESCn1c(O)c(C(N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O5/c1-10-5(12)2(3(8)6(13)14)4(11)9-7(10)15/h3,12H,8H2,1H3,(H,13,14)(H,9,11,15)
InChIKeyGOCUIJHBMJLGBC-UHFFFAOYSA-N
MW215.16 g/mol
LogP-2.14
Rot. Bonds2

About 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid

2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid (PubChem CID 90714503) has the molecular formula C7H9N3O5 and a molecular weight of 215.16 g/mol. Its IUPAC name is 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid
PubChem CID90714503
Molecular FormulaC7H9N3O5
Molecular Weight215.16 g/mol
Exact Mass215.05
IUPAC Name2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid
SMILESCn1c(O)c(C(N)C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O5/c1-10-5(12)2(3(8)6(13)14)4(11)9-7(10)15/h3,12H,8H2,1H3,(H,13,14)(H,9,11,15)
InChIKeyGOCUIJHBMJLGBC-UHFFFAOYSA-N
XLogP-2.14
TPSA138.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.16
LogP ≤ 5-2.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid (CID 90714503) is 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid is Cn1c(O)c(C(N)C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid?
The InChIKey is GOCUIJHBMJLGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O5/c1-10-5(12)2(3(8)6(13)14)4(11)9-7(10)15/h3,12H,8H2,1H3,(H,13,14)(H,9,11,15).
What are the key properties of 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid?
2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid has a molecular weight of 215.16 g/mol, XLogP of -2.14, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 90714503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).