(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid

C10H11N3O5 — CID 28773312

IUPAC(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O5/c14-7-5(4-11-10(18)12-7)8(15)13-3-1-2-6(13)9(16)17/h4,6H,1-3H2,(H,16,17)(H2,11,12,14,18)/t6-/m0/s1
InChIKeyQUWZSCADQMCUFG-LURJTMIESA-N
MW253.21 g/mol
LogP-1.25
Rot. Bonds2

About (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 28773312) has the molecular formula C10H11N3O5 and a molecular weight of 253.21 g/mol. Its IUPAC name is (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID28773312
Molecular FormulaC10H11N3O5
Molecular Weight253.21 g/mol
Exact Mass253.07
IUPAC Name(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C10H11N3O5/c14-7-5(4-11-10(18)12-7)8(15)13-3-1-2-6(13)9(16)17/h4,6H,1-3H2,(H,16,17)(H2,11,12,14,18)/t6-/m0/s1
InChIKeyQUWZSCADQMCUFG-LURJTMIESA-N
XLogP-1.25
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28789702
methyl 1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 115280207
2-cyclopropyl-3-(2,4-dioxo-1H-pyrimidine-5-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63779843
methyl 2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-2-yl]acetate
CID 61010258
1-(2-oxo-6-pyridin-4-yl-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 119356855
1-(5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carbonyl)pyrrolidine-2-carboxylic acid
CID 122133009
1-(6-oxo-1H-pyridazine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43355515
5-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 102785247
2-[1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)piperidin-4-yl]acetic acid
CID 79615225
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
(2R)-1-(2-aminobenzoyl)pyrrolidine-2-carboxylic acid
CID 78923013
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid (CID 28773312) is (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QUWZSCADQMCUFG-LURJTMIESA-N. The full InChI is InChI=1S/C10H11N3O5/c14-7-5(4-11-10(18)12-7)8(15)13-3-1-2-6(13)9(16)17/h4,6H,1-3H2,(H,16,17)(H2,11,12,14,18)/t6-/m0/s1.
What are the key properties of (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 253.21 g/mol, XLogP of -1.25, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,4-dioxo-1H-pyrimidine-5-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 28773312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).