2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid

C11H13N3O5 — CID 61371838

IUPAC2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-5-7(12-11(19)13-8)10(18)14-3-1-2-6(14)4-9(16)17/h5-6H,1-4H2,(H,16,17)(H2,12,13,15,19)
InChIKeyJZOGORURLCSCGX-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.86
Rot. Bonds3

About 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid

2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid (PubChem CID 61371838) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid
PubChem CID61371838
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-5-7(12-11(19)13-8)10(18)14-3-1-2-6(14)4-9(16)17/h5-6H,1-4H2,(H,16,17)(H2,12,13,15,19)
InChIKeyJZOGORURLCSCGX-UHFFFAOYSA-N
XLogP-0.86
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 ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid (CID 61371838) is 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is JZOGORURLCSCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-5-7(12-11(19)13-8)10(18)14-3-1-2-6(14)4-9(16)17/h5-6H,1-4H2,(H,16,17)(H2,12,13,15,19).
What are the key properties of 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dioxo-1H-pyrimidine-6-carbonyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61371838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).