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

C9H13N3O4 — CID 142648152

IUPAC1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.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)
InChIKeyGZUHWUFYADRSLY-UHFFFAOYSA-N
MW227.22 g/mol
LogP-1.11
Rot. Bonds1

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

1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid (PubChem CID 142648152) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid
PubChem CID142648152
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1.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)
InChIKeyGZUHWUFYADRSLY-UHFFFAOYSA-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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Related Compounds

bicyclo[2.2.0]hexa-1,3,5-triene;pyrrolidine-2-carboxylic acid
CID 70124841
hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
pyrrolidine-2-carboxylic acid;silver
CID 87701112
acetic acid;1H-pyrimidine-2,4-dione
CID 21112404

Frequently Asked Questions

What is the IUPAC name of 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid?
The IUPAC name of 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid (CID 142648152) is 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1.O=c1cc[nH]c(=O)[nH]1.
What is the InChIKey of 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid?
The InChIKey is GZUHWUFYADRSLY-UHFFFAOYSA-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).
What are the key properties of 1H-pyrimidine-2,4-dione;pyrrolidine-2-carboxylic acid?
1H-pyrimidine-2,4-dione;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;pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 142648152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).