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

C10H13N3O5 — CID 43329670

IUPAC4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-13(4-2-3-8(15)16)9(17)6-5-7(14)12-10(18)11-6/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,14,18)
InChIKeyJTEBXTSNMRULHR-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.00
Rot. Bonds5

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

4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid (PubChem CID 43329670) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid
PubChem CID43329670
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C10H13N3O5/c1-13(4-2-3-8(15)16)9(17)6-5-7(14)12-10(18)11-6/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,14,18)
InChIKeyJTEBXTSNMRULHR-UHFFFAOYSA-N
XLogP-1.00
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-N-methyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 60961131
4-[methyl(1H-pyrazole-5-carbonyl)amino]butanoic acid
CID 43172441
3-[methyl-(4-oxo-1H-quinoline-2-carbonyl)amino]propanoic acid
CID 60989084
bis(2-[carbamimidoyl(methyl)amino]acetic acid);2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 131724698
N-methyl-2,4-dioxo-N-(piperidin-2-ylmethyl)-1H-pyrimidine-6-carboxamide
CID 106627561
4-[methyl-(2,3,4,5,6-pentamethylbenzoyl)amino]butanoic acid
CID 43092358
4-[(4-acetylbenzoyl)-methylamino]butanoic acid
CID 119172709
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]benzoic acid
CID 24691581
4-[methyl-(4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 110836782
N-methyl-2,4-dioxo-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-1H-pyrimidine-6-carboxamide
CID 56888778
4-[methyl-(2,3,4,5,6-pentafluorobenzoyl)amino]butanoic acid
CID 43403414
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-propylamino]acetate
CID 55005954

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid (CID 43329670) is 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid is CN(CCCC(=O)O)C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid?
The InChIKey is JTEBXTSNMRULHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-13(4-2-3-8(15)16)9(17)6-5-7(14)12-10(18)11-6/h5H,2-4H2,1H3,(H,15,16)(H2,11,12,14,18).
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid?
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of -1.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)-methylamino]butanoic acid is sourced from PubChem (CID 43329670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).