1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

C10H12N2O4 — CID 82235160

IUPAC1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ccc(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C10H12N2O4/c13-7-3-6-12(9(16)11-7)10(8(14)15)4-1-2-5-10/h3,6H,1-2,4-5H2,(H,14,15)(H,11,13,16)
InChIKeyKBQDTIAIPMVJFI-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.11
Rot. Bonds2

About 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 82235160) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID82235160
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ccc(=O)[nH]c2=O)CCCC1
InChIInChI=1S/C10H12N2O4/c13-7-3-6-12(9(16)11-7)10(8(14)15)4-1-2-5-10/h3,6H,1-2,4-5H2,(H,14,15)(H,11,13,16)
InChIKeyKBQDTIAIPMVJFI-UHFFFAOYSA-N
XLogP-0.11
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-oxo-1-pyridinyl)cyclopentane-1-carboxylic acid
CID 82235093
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81367142
4-(2-oxo-1H-imidazol-3-yl)oxane-4-carboxylic acid
CID 103124489
1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione
CID 57332516
2-(2,4-dioxopyrimidin-1-yl)-2-oxoacetic acid
CID 66599108
2,4-dioxopyrimidine-1-carboxylic acid;zinc
CID 174838815
1-(1-methylcyclopentyl)-2-sulfanylidenepyrimidin-4-one
CID 64688640
1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67732608
2-[(2R,3R,4S,5R)-2-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]acetic acid
CID 118606673
1-[[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113311878
1-[(2S,4S,5R)-2-amino-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 66967692
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (CID 82235160) is 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is O=C(O)C1(n2ccc(=O)[nH]c2=O)CCCC1.
What is the InChIKey of 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is KBQDTIAIPMVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-7-3-6-12(9(16)11-7)10(8(14)15)4-1-2-5-10/h3,6H,1-2,4-5H2,(H,14,15)(H,11,13,16).
What are the key properties of 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82235160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).