[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid

C10H14N3O6P — CID 46231862

IUPAC[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid
SMILESCc1cn(C2CCN(C(=O)P(=O)(O)O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N3O6P/c1-6-4-13(9(15)11-8(6)14)7-2-3-12(5-7)10(16)20(17,18)19/h4,7H,2-3,5H2,1H3,(H,11,14,15)(H2,17,18,19)
InChIKeyDOXKBGLOKWJXDU-UHFFFAOYSA-N
MW303.21 g/mol
LogP-0.61
Rot. Bonds2

About [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid

[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid (PubChem CID 46231862) has the molecular formula C10H14N3O6P and a molecular weight of 303.21 g/mol. Its IUPAC name is [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid.

Molecular Properties

Compound Name[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid
PubChem CID46231862
Molecular FormulaC10H14N3O6P
Molecular Weight303.21 g/mol
Exact Mass303.06
IUPAC Name[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid
SMILESCc1cn(C2CCN(C(=O)P(=O)(O)O)C2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N3O6P/c1-6-4-13(9(15)11-8(6)14)7-2-3-12(5-7)10(16)20(17,18)19/h4,7H,2-3,5H2,1H3,(H,11,14,15)(H2,17,18,19)
InChIKeyDOXKBGLOKWJXDU-UHFFFAOYSA-N
XLogP-0.61
TPSA132.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092
2-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)cyclobutyl]oxy-2-phosphonoacetic acid
CID 118387129
(2S)-2-amino-3-oxo-3-phenylmethoxypropanoic acid;tert-butyl (3R)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 67648744
[(2R,5S)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate
CID 6993211
5-methyl-1-piperidin-3-ylpyrimidine-2,4-dione
CID 51050595
methyl-[[5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphinic acid
CID 53436996
1-[(3S,5R)-5-hydroxypiperidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 51050699
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[(3S,4S)-1-cyclohexyl-4-hydroxypyrrolidin-3-yl]-5-methylpyrimidine-2,4-dione
CID 133065275
1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
CID 638926
1-[2-(2-hydroxyethyl)-1,2-oxazolidin-5-yl]-5-methylpyrimidine-2,4-dione
CID 10562076
1-[3-amino-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 14097531

Frequently Asked Questions

What is the IUPAC name of [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid?
The IUPAC name of [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid (CID 46231862) is [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid.
What is the SMILES notation for [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid?
The canonical SMILES for [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid is Cc1cn(C2CCN(C(=O)P(=O)(O)O)C2)c(=O)[nH]c1=O.
What is the InChIKey of [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid?
The InChIKey is DOXKBGLOKWJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N3O6P/c1-6-4-13(9(15)11-8(6)14)7-2-3-12(5-7)10(16)20(17,18)19/h4,7H,2-3,5H2,1H3,(H,11,14,15)(H2,17,18,19).
What are the key properties of [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid?
[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid has a molecular weight of 303.21 g/mol, XLogP of -0.61, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid is sourced from PubChem (CID 46231862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).