2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

C11H13N3O6 — CID 130365739

IUPAC2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(=O)CCNC(=O)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H13N3O6/c1-2-20-7(15)3-4-12-10(17)8-13-5-6(11(18)19)9(16)14-8/h5H,2-4H2,1H3,(H,12,17)(H,18,19)(H,13,14,16)
InChIKeyVAJIOCQMGGMOKK-UHFFFAOYSA-N
MW283.24 g/mol
LogP-0.85
Rot. Bonds6

About 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid

2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 130365739) has the molecular formula C11H13N3O6 and a molecular weight of 283.24 g/mol. Its IUPAC name is 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID130365739
Molecular FormulaC11H13N3O6
Molecular Weight283.24 g/mol
Exact Mass283.08
IUPAC Name2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCCOC(=O)CCNC(=O)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C11H13N3O6/c1-2-20-7(15)3-4-12-10(17)8-13-5-6(11(18)19)9(16)14-8/h5H,2-4H2,1H3,(H,12,17)(H,18,19)(H,13,14,16)
InChIKeyVAJIOCQMGGMOKK-UHFFFAOYSA-N
XLogP-0.85
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 130365739) is 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is CCOC(=O)CCNC(=O)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is VAJIOCQMGGMOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O6/c1-2-20-7(15)3-4-12-10(17)8-13-5-6(11(18)19)9(16)14-8/h5H,2-4H2,1H3,(H,12,17)(H,18,19)(H,13,14,16).
What are the key properties of 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 283.24 g/mol, XLogP of -0.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 130365739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).