2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid

C7H9N3O4 — CID 66755923

IUPAC2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid
SMILESCn1cc(NCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-10-3-4(8-2-5(11)12)6(13)9-7(10)14/h3,8H,2H2,1H3,(H,11,12)(H,9,13,14)
InChIKeyLOOPAIMKJYGQQZ-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.43
Rot. Bonds3

About 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid

2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid (PubChem CID 66755923) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid
PubChem CID66755923
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid
SMILESCn1cc(NCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H9N3O4/c1-10-3-4(8-2-5(11)12)6(13)9-7(10)14/h3,8H,2H2,1H3,(H,11,12)(H,9,13,14)
InChIKeyLOOPAIMKJYGQQZ-UHFFFAOYSA-N
XLogP-1.43
TPSA104.19 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 ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid?
The IUPAC name of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid (CID 66755923) is 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid.
What is the SMILES notation for 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid?
The canonical SMILES for 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid is Cn1cc(NCC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid?
The InChIKey is LOOPAIMKJYGQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-10-3-4(8-2-5(11)12)6(13)9-7(10)14/h3,8H,2H2,1H3,(H,11,12)(H,9,13,14).
What are the key properties of 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid?
2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid has a molecular weight of 199.17 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,4-dioxopyrimidin-5-yl)amino]acetic acid is sourced from PubChem (CID 66755923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).