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

C10H13N3O5 — CID 114284029

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate
SMILESCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C10H13N3O5/c1-3-5(9(16)18-2)11-8(15)6-4-7(14)13-10(17)12-6/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,17)
InChIKeyMTIMWDDLBFAFGV-UHFFFAOYSA-N
MW255.23 g/mol
LogP-1.26
Rot. Bonds4

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

methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate (PubChem CID 114284029) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate
PubChem CID114284029
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate
SMILESCCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C10H13N3O5/c1-3-5(9(16)18-2)11-8(15)6-4-7(14)13-10(17)12-6/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,17)
InChIKeyMTIMWDDLBFAFGV-UHFFFAOYSA-N
XLogP-1.26
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate (CID 114284029) is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate is CCC(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate?
The InChIKey is MTIMWDDLBFAFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-3-5(9(16)18-2)11-8(15)6-4-7(14)13-10(17)12-6/h4-5H,3H2,1-2H3,(H,11,15)(H2,12,13,14,17).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate has a molecular weight of 255.23 g/mol, XLogP of -1.26, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]butanoate is sourced from PubChem (CID 114284029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).