2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid

C7H7N3O5 — CID 28819630

IUPAC2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESNC(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H7N3O5/c8-5(13)3-1-10(2-4(11)12)7(15)9-6(3)14/h1H,2H2,(H2,8,13)(H,11,12)(H,9,14,15)
InChIKeyXOCUBEHFERLZFJ-UHFFFAOYSA-N
MW213.15 g/mol
LogP-2.28
Rot. Bonds3

About 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid

2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid (PubChem CID 28819630) has the molecular formula C7H7N3O5 and a molecular weight of 213.15 g/mol. Its IUPAC name is 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid
PubChem CID28819630
Molecular FormulaC7H7N3O5
Molecular Weight213.15 g/mol
Exact Mass213.04
IUPAC Name2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid
SMILESNC(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C7H7N3O5/c8-5(13)3-1-10(2-4(11)12)7(15)9-6(3)14/h1H,2H2,(H2,8,13)(H,11,12)(H,9,14,15)
InChIKeyXOCUBEHFERLZFJ-UHFFFAOYSA-N
XLogP-2.28
TPSA135.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.15
LogP ≤ 5-2.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The IUPAC name of 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid (CID 28819630) is 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid.
What is the SMILES notation for 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The canonical SMILES for 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid is NC(=O)c1cn(CC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid?
The InChIKey is XOCUBEHFERLZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O5/c8-5(13)3-1-10(2-4(11)12)7(15)9-6(3)14/h1H,2H2,(H2,8,13)(H,11,12)(H,9,14,15).
What are the key properties of 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid?
2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid has a molecular weight of 213.15 g/mol, XLogP of -2.28, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-carbamoyl-2,4-dioxopyrimidin-1-yl)acetic acid is sourced from PubChem (CID 28819630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).