1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate

C23H39NO3 — CID 131968709

IUPAC1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
SMILESCCC(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C1CCC1
InChIInChI=1S/C23H39NO3/c1-6-20(25)24-14-8-11-19(24)21(26)27-16(2)15-18-12-13-22(3,4)23(18,5)17-9-7-10-17/h16-19H,6-15H2,1-5H3
InChIKeyCSYZQMYSTWEYAA-UHFFFAOYSA-N
MW377.57 g/mol
LogP4.95
Rot. Bonds6

About 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate

1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate (PubChem CID 131968709) has the molecular formula C23H39NO3 and a molecular weight of 377.57 g/mol. Its IUPAC name is 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Name1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
PubChem CID131968709
Molecular FormulaC23H39NO3
Molecular Weight377.57 g/mol
Exact Mass377.29
IUPAC Name1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate
SMILESCCC(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C1CCC1
InChIInChI=1S/C23H39NO3/c1-6-20(25)24-14-8-11-19(24)21(26)27-16(2)15-18-12-13-22(3,4)23(18,5)17-9-7-10-17/h16-19H,6-15H2,1-5H3
InChIKeyCSYZQMYSTWEYAA-UHFFFAOYSA-N
XLogP4.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.57
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate 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

L-Proline, N-(cyclopentylcarbonyl)-, undecyl ester
CID 91695487
(4-Tert-butylcyclohexyl) 1-acetylpyrrolidine-2-carboxylate
CID 56827745
(2,6,6-Trimethyl-3-bicyclo[3.1.1]heptanyl) 1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 71897475
tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
CID 59077112
tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
CID 59079974
1-O-tert-butyl 2-O-methyl 4-(2-cyclobutylpropan-2-yl)-4-methylpyrrolidine-1,2-dicarboxylate
CID 123542737
1-O-tert-butyl 2-O-[2-(5,6,6-trimethyl-2-bicyclo[3.1.0]hexanyl)ethyl] (2S)-pyrrolidine-1,2-dicarboxylate
CID 130440989
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) (2S)-1-(2,2-dimethylpropanoyl)pyrrolidine-2-carboxylate
CID 130441170
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-methylpyrrolidine-2-carboxylate
CID 131968654
(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanyl) 1-formylpyrrolidine-2-carboxylate
CID 131968669
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-formylpyrrolidine-2-carboxylate
CID 131968676
1-(2,2,3,3-Tetramethylcyclopentyl)propan-2-yl 1-(2-methyliminopropanoyl)pyrrolidine-2-carboxylate
CID 131968708

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
The IUPAC name of 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate (CID 131968709) is 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate.
What is the SMILES notation for 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
The canonical SMILES for 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate is CCC(=O)N1CCCC1C(=O)OC(C)CC1CCC(C)(C)C1(C)C1CCC1.
What is the InChIKey of 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
The InChIKey is CSYZQMYSTWEYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39NO3/c1-6-20(25)24-14-8-11-19(24)21(26)27-16(2)15-18-12-13-22(3,4)23(18,5)17-9-7-10-17/h16-19H,6-15H2,1-5H3.
What are the key properties of 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate?
1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate has a molecular weight of 377.57 g/mol, XLogP of 4.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclobutyl-2,3,3-trimethylcyclopentyl)propan-2-yl 1-propanoylpyrrolidine-2-carboxylate is sourced from PubChem (CID 131968709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).