[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid

C10H16N3O5P — CID 67784718

IUPAC[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
SMILESNc1ccn([C@H]2CC[C@@H](OCP(=O)(O)O)C2)c(=O)n1
InChIInChI=1S/C10H16N3O5P/c11-9-3-4-13(10(14)12-9)7-1-2-8(5-7)18-6-19(15,16)17/h3-4,7-8H,1-2,5-6H2,(H2,11,12,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKeyUGURDPCLPXCFNA-JGVFFNPUSA-N
MW289.23 g/mol
LogP0.07
Rot. Bonds4

About [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid

[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid (PubChem CID 67784718) has the molecular formula C10H16N3O5P and a molecular weight of 289.23 g/mol. Its IUPAC name is [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
PubChem CID67784718
Molecular FormulaC10H16N3O5P
Molecular Weight289.23 g/mol
Exact Mass289.08
IUPAC Name[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid
SMILESNc1ccn([C@H]2CC[C@@H](OCP(=O)(O)O)C2)c(=O)n1
InChIInChI=1S/C10H16N3O5P/c11-9-3-4-13(10(14)12-9)7-1-2-8(5-7)18-6-19(15,16)17/h3-4,7-8H,1-2,5-6H2,(H2,11,12,14)(H2,15,16,17)/t7-,8+/m0/s1
InChIKeyUGURDPCLPXCFNA-JGVFFNPUSA-N
XLogP0.07
TPSA127.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.23
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
methyl 2-[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxy-2-dimethoxyphosphorylacetate
CID 118431512
[(2R,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-2-methyloxolan-2-yl]oxymethylphosphonic acid
CID 102277753
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate;hydrate
CID 71317334
[5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 624
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxy-5-methyloxolan-2-yl]oxymethylphosphonic acid
CID 59795978
[4-(4-amino-2-oxopyrimidin-1-yl)-1,3-oxathiolan-2-yl]oxymethyl-ethoxyphosphinic acid
CID 88965090
[[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
CID 153405657
[(2R,3R,5R)-5-(4-(15N)azanyl-2-oxo(2,4,5,6-13C4,1,3-15N2)pyrimidin-1-yl)-3,4-dihydroxy(2,3,4,5-13C4)oxolan-2-yl](113C)methyl dihydrogen phosphate
CID 169494410
[(4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171699509
4-amino-1-[(3S)-3-amino-3-(hydroxymethyl)cyclopentyl]pyrimidin-2-one
CID 142192955
[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxymethyl-ethoxyphosphinic acid
CID 14755650

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid?
The IUPAC name of [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid (CID 67784718) is [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid.
What is the SMILES notation for [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid?
The canonical SMILES for [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid is Nc1ccn([C@H]2CC[C@@H](OCP(=O)(O)O)C2)c(=O)n1.
What is the InChIKey of [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid?
The InChIKey is UGURDPCLPXCFNA-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H16N3O5P/c11-9-3-4-13(10(14)12-9)7-1-2-8(5-7)18-6-19(15,16)17/h3-4,7-8H,1-2,5-6H2,(H2,11,12,14)(H2,15,16,17)/t7-,8+/m0/s1.
What are the key properties of [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid?
[(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid has a molecular weight of 289.23 g/mol, XLogP of 0.07, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-(4-amino-2-oxopyrimidin-1-yl)cyclopentyl]oxymethylphosphonic acid is sourced from PubChem (CID 67784718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).