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

C11H13N3O5 — CID 55150224

IUPAC(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=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)/t7-/m1/s1
InChIKeySLTUDLASSCUDLW-SSDOTTSWSA-N
MW267.24 g/mol
LogP-1.32
Rot. Bonds3

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

(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 55150224) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
PubChem CID55150224
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name(2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=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)/t7-/m1/s1
InChIKeySLTUDLASSCUDLW-SSDOTTSWSA-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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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid (CID 55150224) is (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is SLTUDLASSCUDLW-SSDOTTSWSA-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)/t7-/m1/s1.
What are the key properties of (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid?
(2R)-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 (2R)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55150224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).