methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate

C11H15N3O5 — CID 43409265

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H15N3O5/c1-5(2)8(10(17)19-3)14-9(16)6-4-7(15)13-11(18)12-6/h4-5,8H,1-3H3,(H,14,16)(H2,12,13,15,18)
InChIKeyZTELASYZFQSHOT-UHFFFAOYSA-N
MW269.26 g/mol
LogP-1.01
Rot. Bonds4

About methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate

methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate (PubChem CID 43409265) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate
PubChem CID43409265
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate
SMILESCOC(=O)C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(C)C
InChIInChI=1S/C11H15N3O5/c1-5(2)8(10(17)19-3)14-9(16)6-4-7(15)13-11(18)12-6/h4-5,8H,1-3H3,(H,14,16)(H2,12,13,15,18)
InChIKeyZTELASYZFQSHOT-UHFFFAOYSA-N
XLogP-1.01
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-1.01
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]-3-methylbutanoate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate (CID 43409265) is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate is COC(=O)C(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(C)C.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate?
The InChIKey is ZTELASYZFQSHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-5(2)8(10(17)19-3)14-9(16)6-4-7(15)13-11(18)12-6/h4-5,8H,1-3H3,(H,14,16)(H2,12,13,15,18).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-3-methylbutanoate has a molecular weight of 269.26 g/mol, XLogP of -1.01, 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]-3-methylbutanoate is sourced from PubChem (CID 43409265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).