3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid

C9H11N3O5 — CID 62675489

IUPAC3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(8(15)16)2-10-6(13)5-3-11-9(17)12-7(5)14/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)
InChIKeyKNQQCDVCIACWDV-UHFFFAOYSA-N
MW241.20 g/mol
LogP-1.49
Rot. Bonds4

About 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid

3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 62675489) has the molecular formula C9H11N3O5 and a molecular weight of 241.20 g/mol. Its IUPAC name is 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
PubChem CID62675489
Molecular FormulaC9H11N3O5
Molecular Weight241.20 g/mol
Exact Mass241.07
IUPAC Name3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H11N3O5/c1-4(8(15)16)2-10-6(13)5-3-11-9(17)12-7(5)14/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17)
InChIKeyKNQQCDVCIACWDV-UHFFFAOYSA-N
XLogP-1.49
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.20
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid (CID 62675489) is 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid is CC(CNC(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is KNQQCDVCIACWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O5/c1-4(8(15)16)2-10-6(13)5-3-11-9(17)12-7(5)14/h3-4H,2H2,1H3,(H,10,13)(H,15,16)(H2,11,12,14,17).
What are the key properties of 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid?
3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 241.20 g/mol, XLogP of -1.49, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).