1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid

C11H13N3O5 — CID 43355714

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-4-6(12-11(19)13-8)5-9(16)14-3-1-2-7(14)10(17)18/h4,7H,1-3,5H2,(H,17,18)(H2,12,13,15,19)
InChIKeySLTUDLASSCUDLW-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.32
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 43355714) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID43355714
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-4-6(12-11(19)13-8)5-9(16)14-3-1-2-7(14)10(17)18/h4,7H,1-3,5H2,(H,17,18)(H2,12,13,15,19)
InChIKeySLTUDLASSCUDLW-UHFFFAOYSA-N
XLogP-1.32
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 24695462
(2S)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 28182880
(2R)-1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidine-2-carboxylic acid
CID 28182882
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43170933
1-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 43355536
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
CID 43356116
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43357052
5-amino-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-5-oxopentanoic acid
CID 43358726
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 43359796
methyl 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylate
CID 43410295
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]hexanoic acid
CID 43469863
2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]pentanoic acid
CID 43630807

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 43355714) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SLTUDLASSCUDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-4-6(12-11(19)13-8)5-9(16)14-3-1-2-7(14)10(17)18/h4,7H,1-3,5H2,(H,17,18)(H2,12,13,15,19).
What are the key properties of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).