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

C9H11N3O5 — CID 15518001

IUPAC2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCc1cn(CC(=O)NCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O5/c1-5-3-12(9(17)11-8(5)16)4-6(13)10-2-7(14)15/h3H,2,4H2,1H3,(H,10,13)(H,14,15)(H,11,16,17)
InChIKeyPNLSXUWHVSLCNS-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.95
Rot. Bonds4

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

2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 15518001) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID15518001
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESCc1cn(CC(=O)NCC(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H11N3O5/c1-5-3-12(9(17)11-8(5)16)4-6(13)10-2-7(14)15/h3H,2,4H2,1H3,(H,10,13)(H,14,15)(H,11,16,17)
InChIKeyPNLSXUWHVSLCNS-UHFFFAOYSA-N
XLogP-1.95
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 15518001) is 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is Cc1cn(CC(=O)NCC(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is PNLSXUWHVSLCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-5-3-12(9(17)11-8(5)16)4-6(13)10-2-7(14)15/h3H,2,4H2,1H3,(H,10,13)(H,14,15)(H,11,16,17).
What are the key properties of 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 241.20 g/mol, XLogP of -1.95, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 15518001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).