2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

C13H20N2O5 — CID 102889799

IUPAC2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C13H20N2O5/c1-14(7-10(16)20-2)13(19)15-6-8-4-3-5-9(8)11(15)12(17)18/h8-9,11H,3-7H2,1-2H3,(H,17,18)
InChIKeyCRJYOASPZLIFFR-UHFFFAOYSA-N
MW284.31 g/mol
LogP0.40
Rot. Bonds3

About 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid

2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (PubChem CID 102889799) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
PubChem CID102889799
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
SMILESCOC(=O)CN(C)C(=O)N1CC2CCCC2C1C(=O)O
InChIInChI=1S/C13H20N2O5/c1-14(7-10(16)20-2)13(19)15-6-8-4-3-5-9(8)11(15)12(17)18/h8-9,11H,3-7H2,1-2H3,(H,17,18)
InChIKeyCRJYOASPZLIFFR-UHFFFAOYSA-N
XLogP0.40
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-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-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid (CID 102889799) is 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is COC(=O)CN(C)C(=O)N1CC2CCCC2C1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
The InChIKey is CRJYOASPZLIFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-14(7-10(16)20-2)13(19)15-6-8-4-3-5-9(8)11(15)12(17)18/h8-9,11H,3-7H2,1-2H3,(H,17,18).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid?
2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid has a molecular weight of 284.31 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-methylcarbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid is sourced from PubChem (CID 102889799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).