3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid

C11H14N2O7 — CID 11098121

IUPAC3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N2O7/c14-3-4-1-5(9(17)8(4)16)13-6(10(18)19)2-7(15)12-11(13)20/h2,4-5,8-9,14,16-17H,1,3H2,(H,18,19)(H,12,15,20)/t4-,5-,8-,9+/m1/s1
InChIKeyNWJKCAQNHMGMMQ-YEYCUWODSA-N
MW286.24 g/mol
LogP-2.49
Rot. Bonds3

About 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid

3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid (PubChem CID 11098121) has the molecular formula C11H14N2O7 and a molecular weight of 286.24 g/mol. Its IUPAC name is 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid
PubChem CID11098121
Molecular FormulaC11H14N2O7
Molecular Weight286.24 g/mol
Exact Mass286.08
IUPAC Name3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O
InChIInChI=1S/C11H14N2O7/c14-3-4-1-5(9(17)8(4)16)13-6(10(18)19)2-7(15)12-11(13)20/h2,4-5,8-9,14,16-17H,1,3H2,(H,18,19)(H,12,15,20)/t4-,5-,8-,9+/m1/s1
InChIKeyNWJKCAQNHMGMMQ-YEYCUWODSA-N
XLogP-2.49
TPSA152.85 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.24
LogP ≤ 5-2.49
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid with MolForge

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Related Compounds

3-[(2R,3R,4S,5R)-5-[deuterio(hydroxy)methyl]-3,4-dihydroxyoxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 175696661
3-[(2R,3S,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 158907779
3-[(2R,4R,5R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
CID 159223307
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-iodopyrimidine-2,4-dione
CID 155579064
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(methylamino)pyrimidine-2,4-dione
CID 71371968
3-tert-butyl-2,6-dioxopyrimidine-4-carboxylic acid
CID 83852271
1-[(1S,2R,3S,4S)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-1,2,4-triazole-3-carboxamide
CID 90665271
1-[(1S,2R,3R)-2-fluoro-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 66739562
(1S,2S,3R,4R)-4-(hydroxymethyl)cyclopentane-1,2,3-triol
CID 10920662
1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462
4-[2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-3-oxopyrazine-2-carboxamide
CID 123674708

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid?
The IUPAC name of 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid (CID 11098121) is 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid?
The canonical SMILES for 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)[nH]c(=O)n1[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O.
What is the InChIKey of 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid?
The InChIKey is NWJKCAQNHMGMMQ-YEYCUWODSA-N. The full InChI is InChI=1S/C11H14N2O7/c14-3-4-1-5(9(17)8(4)16)13-6(10(18)19)2-7(15)12-11(13)20/h2,4-5,8-9,14,16-17H,1,3H2,(H,18,19)(H,12,15,20)/t4-,5-,8-,9+/m1/s1.
What are the key properties of 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid?
3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid has a molecular weight of 286.24 g/mol, XLogP of -2.49, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-2,6-dioxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 11098121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).