2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid

C11H15NO4 — CID 103979276

IUPAC2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H15NO4/c1-11(2,10(15)16)12-8(13)6-4-3-5-7(6)9(12)14/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyXTJHNWVXLNTVSK-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.63
Rot. Bonds2

About 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid

2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid (PubChem CID 103979276) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid
PubChem CID103979276
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C11H15NO4/c1-11(2,10(15)16)12-8(13)6-4-3-5-7(6)9(12)14/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyXTJHNWVXLNTVSK-UHFFFAOYSA-N
XLogP0.63
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-3,3,3-trifluoro-2-methylpropanoic acid
CID 113361213
3,3,3-trifluoro-2-methyl-2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
CID 114391635
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-3,3,3-trifluoro-2-methylpropanoic acid
CID 114512362
2-fluoro-2-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)acetic acid
CID 114512703
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-fluoroacetic acid
CID 114512793
2-(5-ethyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-fluoroacetic acid
CID 114512862
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpropanoic acid
CID 61263949
1-(3-Methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 61291210
2-Cyclopropyl-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)propanoic acid
CID 64669088
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylbutanoic acid
CID 79792587
2-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-2-ethylbutanoic acid
CID 79807030
1-(3,4-Dimethyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 103499604

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid (CID 103979276) is 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid?
The InChIKey is XTJHNWVXLNTVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-11(2,10(15)16)12-8(13)6-4-3-5-7(6)9(12)14/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid?
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid has a molecular weight of 225.24 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 103979276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).