2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

C11H13N3O5 — CID 64814515

IUPAC2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-4-7(13-11(19)14-8)9(16)12-6-3-1-2-5(6)10(17)18/h4-6H,1-3H2,(H,12,16)(H,17,18)(H2,13,14,15,19)
InChIKeyDBRYUTRSIUTULS-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.95
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid

2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 64814515) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID64814515
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(NC1CCCC1C(=O)O)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H13N3O5/c15-8-4-7(13-11(19)14-8)9(16)12-6-3-1-2-5(6)10(17)18/h4-6H,1-3H2,(H,12,16)(H,17,18)(H2,13,14,15,19)
InChIKeyDBRYUTRSIUTULS-UHFFFAOYSA-N
XLogP-0.95
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic 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-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 64814515) is 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is O=C(NC1CCCC1C(=O)O)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is DBRYUTRSIUTULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-8-4-7(13-11(19)14-8)9(16)12-6-3-1-2-5(6)10(17)18/h4-6H,1-3H2,(H,12,16)(H,17,18)(H2,13,14,15,19).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid?
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.95, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64814515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).