2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid

C10H13N3O5 — CID 65219989

IUPAC2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-5(9(16)17)4-11-8(15)6-3-7(14)13-10(18)12-6/h3,5H,2,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18)
InChIKeyRDJPMFFJWOFRTB-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.10
Rot. Bonds5

About 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid

2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid (PubChem CID 65219989) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
PubChem CID65219989
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid
SMILESCCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-2-5(9(16)17)4-11-8(15)6-3-7(14)13-10(18)12-6/h3,5H,2,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18)
InChIKeyRDJPMFFJWOFRTB-UHFFFAOYSA-N
XLogP-1.10
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid (CID 65219989) is 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid is CCC(CNC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
The InChIKey is RDJPMFFJWOFRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-2-5(9(16)17)4-11-8(15)6-3-7(14)13-10(18)12-6/h3,5H,2,4H2,1H3,(H,11,15)(H,16,17)(H2,12,13,14,18).
What are the key properties of 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid?
2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65219989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).