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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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).