2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C14H19N3O3 — CID 136865964

IUPAC2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCCc1nc(N2CC3CCCC3C2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O3/c1-2-10-15-11(6-12(18)16-10)17-7-8-4-3-5-9(8)13(17)14(19)20/h6,8-9,13H,2-5,7H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyJECMUVLJXZJTAG-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 136865964) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID136865964
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCCc1nc(N2CC3CCCC3C2C(=O)O)cc(=O)[nH]1
InChIInChI=1S/C14H19N3O3/c1-2-10-15-11(6-12(18)16-10)17-7-8-4-3-5-9(8)13(17)14(19)20/h6,8-9,13H,2-5,7H2,1H3,(H,19,20)(H,15,16,18)
InChIKeyJECMUVLJXZJTAG-UHFFFAOYSA-N
XLogP1.02
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-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-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 136865964) is 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is CCc1nc(N2CC3CCCC3C2C(=O)O)cc(=O)[nH]1.
What is the InChIKey of 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is JECMUVLJXZJTAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-2-10-15-11(6-12(18)16-10)17-7-8-4-3-5-9(8)13(17)14(19)20/h6,8-9,13H,2-5,7H2,1H3,(H,19,20)(H,15,16,18).
What are the key properties of 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 136865964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).