(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C10H11N3O6 — CID 28773342

IUPAC(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O6/c14-4-1-6(9(17)18)13(3-4)8(16)5-2-11-10(19)12-7(5)15/h2,4,6,14H,1,3H2,(H,17,18)(H2,11,12,15,19)/t4-,6-/m1/s1
InChIKeyFFJQQRSFOILQSJ-INEUFUBQSA-N
MW269.21 g/mol
LogP-2.28
Rot. Bonds2

About (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 28773342) has the molecular formula C10H11N3O6 and a molecular weight of 269.21 g/mol. Its IUPAC name is (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID28773342
Molecular FormulaC10H11N3O6
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O6/c14-4-1-6(9(17)18)13(3-4)8(16)5-2-11-10(19)12-7(5)15/h2,4,6,14H,1,3H2,(H,17,18)(H2,11,12,15,19)/t4-,6-/m1/s1
InChIKeyFFJQQRSFOILQSJ-INEUFUBQSA-N
XLogP-2.28
TPSA143.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 5-2.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 28773342) is (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is FFJQQRSFOILQSJ-INEUFUBQSA-N. The full InChI is InChI=1S/C10H11N3O6/c14-4-1-6(9(17)18)13(3-4)8(16)5-2-11-10(19)12-7(5)15/h2,4,6,14H,1,3H2,(H,17,18)(H2,11,12,15,19)/t4-,6-/m1/s1.
What are the key properties of (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 269.21 g/mol, XLogP of -2.28, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28773342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).