[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate

C14H20N4O6 — CID 51000843

IUPAC[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate
SMILESNc1ccn([C@@H]2O[C@H](COC(=O)C3CCCN3)[C@@H](O)[C@@H]2O)c(=O)n1
InChIInChI=1S/C14H20N4O6/c15-9-3-5-18(14(22)17-9)12-11(20)10(19)8(24-12)6-23-13(21)7-2-1-4-16-7/h3,5,7-8,10-12,16,19-20H,1-2,4,6H2,(H2,15,17,22)/t7?,8-,10-,11+,12-/m1/s1
InChIKeyJZDKDXLOASXRDZ-BNSLRYOESA-N
MW340.34 g/mol
LogP-2.26
Rot. Bonds4

About [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate (PubChem CID 51000843) has the molecular formula C14H20N4O6 and a molecular weight of 340.34 g/mol. Its IUPAC name is [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate
PubChem CID51000843
Molecular FormulaC14H20N4O6
Molecular Weight340.34 g/mol
Exact Mass340.14
IUPAC Name[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate
SMILESNc1ccn([C@@H]2O[C@H](COC(=O)C3CCCN3)[C@@H](O)[C@@H]2O)c(=O)n1
InChIInChI=1S/C14H20N4O6/c15-9-3-5-18(14(22)17-9)12-11(20)10(19)8(24-12)6-23-13(21)7-2-1-4-16-7/h3,5,7-8,10-12,16,19-20H,1-2,4,6H2,(H2,15,17,22)/t7?,8-,10-,11+,12-/m1/s1
InChIKeyJZDKDXLOASXRDZ-BNSLRYOESA-N
XLogP-2.26
TPSA148.93 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-2.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate with MolForge

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Related Compounds

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 1-azabicyclo[2.2.2]octane-2-carboxylate
CID 90680059
[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxyphosphonamidous acid
CID 22885886
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-phenylacetate
CID 54550245
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 4-aminobutanoate
CID 59612645
4-amino-1-[(4R)-3,4-dihydroxy-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59721059
[(2S,3R,4S,5S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-dimethylpropanoate
CID 124526324
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 54100591
4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;piperazine
CID 174523119
[5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2,2-diethylbutanoate
CID 23276777
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 10-hydroxy-9-oxodecanoate
CID 58492713
[(4S)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 171699509
[(2R,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-trihydroxyphosphanium
CID 176805301

Frequently Asked Questions

What is the IUPAC name of [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate?
The IUPAC name of [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate (CID 51000843) is [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate.
What is the SMILES notation for [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate?
The canonical SMILES for [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate is Nc1ccn([C@@H]2O[C@H](COC(=O)C3CCCN3)[C@@H](O)[C@@H]2O)c(=O)n1.
What is the InChIKey of [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate?
The InChIKey is JZDKDXLOASXRDZ-BNSLRYOESA-N. The full InChI is InChI=1S/C14H20N4O6/c15-9-3-5-18(14(22)17-9)12-11(20)10(19)8(24-12)6-23-13(21)7-2-1-4-16-7/h3,5,7-8,10-12,16,19-20H,1-2,4,6H2,(H2,15,17,22)/t7?,8-,10-,11+,12-/m1/s1.
What are the key properties of [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate?
[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate has a molecular weight of 340.34 g/mol, XLogP of -2.26, 4 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl pyrrolidine-2-carboxylate is sourced from PubChem (CID 51000843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).