1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid

C11H13N3O5 — CID 63030587

IUPAC1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O5/c15-8-3-7(12-11(19)13-8)4-9(16)14-2-1-6(5-14)10(17)18/h3,6H,1-2,4-5H2,(H,17,18)(H2,12,13,15,19)
InChIKeyAYNJTXKIORPWCI-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.46
Rot. Bonds3

About 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid (PubChem CID 63030587) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid
PubChem CID63030587
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1
InChIInChI=1S/C11H13N3O5/c15-8-3-7(12-11(19)13-8)4-9(16)14-2-1-6(5-14)10(17)18/h3,6H,1-2,4-5H2,(H,17,18)(H2,12,13,15,19)
InChIKeyAYNJTXKIORPWCI-UHFFFAOYSA-N
XLogP-1.46
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 ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-4-carboxylic acid
CID 43170488
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]butanoic acid
CID 43355166
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]butanoic acid
CID 43360180
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008446
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpropanoic acid
CID 55105061
1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55149514
4-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-propan-2-ylamino]butanoic acid
CID 60827422
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]propanoic acid
CID 60989090
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]propanoic acid
CID 61008156
2-[1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61369877
6-[2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 62372718
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-ethylamino]butanoic acid
CID 62822440

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid (CID 63030587) is 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)Cc2cc(=O)[nH]c(=O)[nH]2)C1.
What is the InChIKey of 1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid?
The InChIKey is AYNJTXKIORPWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-3-7(12-11(19)13-8)4-9(16)14-2-1-6(5-14)10(17)18/h3,6H,1-2,4-5H2,(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-3-carboxylic acid?
1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -1.46, 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-3-carboxylic acid is sourced from PubChem (CID 63030587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).