1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid

C9H13N3O4 — CID 158415115

IUPAC1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H9NO2.C4H4N2O2/c7-5(8)4-2-1-3-6-4;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,7,8);1-2H,(H2,5,6,7,8)/t4-;/m0./s1
InChIKeyGZUHWUFYADRSLY-WCCKRBBISA-N
MW227.22 g/mol
LogP-1.11
Rot. Bonds1

About 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid

1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 158415115) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID158415115
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=c1cc[nH]c(=O)[nH]1
InChIInChI=1S/C5H9NO2.C4H4N2O2/c7-5(8)4-2-1-3-6-4;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,7,8);1-2H,(H2,5,6,7,8)/t4-;/m0./s1
InChIKeyGZUHWUFYADRSLY-WCCKRBBISA-N
XLogP-1.11
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid (CID 158415115) is 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is GZUHWUFYADRSLY-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.C4H4N2O2/c7-5(8)4-2-1-3-6-4;7-3-1-2-5-4(8)6-3/h4,6H,1-3H2,(H,7,8);1-2H,(H2,5,6,7,8)/t4-;/m0./s1.
What are the key properties of 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid?
1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -1.11, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrimidine-2,4-dione;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 158415115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).