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

C13H17NO4 — CID 103979329

IUPAC2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C13H17NO4/c1-13(12(17)18,7-5-6-7)14-10(15)8-3-2-4-9(8)11(14)16/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyRWNXVZQZIBMKKY-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.02
Rot. Bonds3

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

2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid (PubChem CID 103979329) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
PubChem CID103979329
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
SMILESCC(C(=O)O)(C1CC1)N1C(=O)C2CCCC2C1=O
InChIInChI=1S/C13H17NO4/c1-13(12(17)18,7-5-6-7)14-10(15)8-3-2-4-9(8)11(14)16/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyRWNXVZQZIBMKKY-UHFFFAOYSA-N
XLogP1.02
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic 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-(1,3-Dioxo-2-azaspiro[4.4]nonan-2-yl)-2-methylpentanoic acid
CID 43645099
1-(3-Methyl-2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 61290831
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
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-4-methylpentanoic acid
CID 103979227
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-3-methylbutanoic acid
CID 103979229
2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid
CID 103979235

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid (CID 103979329) is 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid is CC(C(=O)O)(C1CC1)N1C(=O)C2CCCC2C1=O.
What is the InChIKey of 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid?
The InChIKey is RWNXVZQZIBMKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-13(12(17)18,7-5-6-7)14-10(15)8-3-2-4-9(8)11(14)16/h7-9H,2-6H2,1H3,(H,17,18).
What are the key properties of 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid?
2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid has a molecular weight of 251.28 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)propanoic acid is sourced from PubChem (CID 103979329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).