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

C10H11N3O6 — CID 130365728

IUPAC2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(=O)CCNC(=O)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H11N3O6/c1-19-6(14)2-3-11-9(16)7-12-4-5(10(17)18)8(15)13-7/h4H,2-3H2,1H3,(H,11,16)(H,17,18)(H,12,13,15)
InChIKeyCYKMDWVUSHUNQP-UHFFFAOYSA-N
MW269.21 g/mol
LogP-1.24
Rot. Bonds5

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

2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 130365728) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
PubChem CID130365728
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
SMILESCOC(=O)CCNC(=O)c1ncc(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H11N3O6/c1-19-6(14)2-3-11-9(16)7-12-4-5(10(17)18)8(15)13-7/h4H,2-3H2,1H3,(H,11,16)(H,17,18)(H,12,13,15)
InChIKeyCYKMDWVUSHUNQP-UHFFFAOYSA-N
XLogP-1.24
TPSA138.45 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid (CID 130365728) is 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is COC(=O)CCNC(=O)c1ncc(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is CYKMDWVUSHUNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O6/c1-19-6(14)2-3-11-9(16)7-12-4-5(10(17)18)8(15)13-7/h4H,2-3H2,1H3,(H,11,16)(H,17,18)(H,12,13,15).
What are the key properties of 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid?
2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 269.21 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 130365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).