(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate

C24H33NO3 — CID 166812922

IUPAC(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C1CCCN1C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H33NO3/c1-23(2)18-13-14-24(23,3)20(16-18)28-22(27)19-10-7-15-25(19)21(26)12-11-17-8-5-4-6-9-17/h4-6,8-9,18-20H,7,10-16H2,1-3H3
InChIKeySZKOYFCUCPMFJE-UHFFFAOYSA-N
MW383.53 g/mol
LogP4.37
Rot. Bonds5

About (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate

(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate (PubChem CID 166812922) has the molecular formula C24H33NO3 and a molecular weight of 383.53 g/mol. Its IUPAC name is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
PubChem CID166812922
Molecular FormulaC24H33NO3
Molecular Weight383.53 g/mol
Exact Mass383.25
IUPAC Name(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
SMILESCC1(C)C2CCC1(C)C(OC(=O)C1CCCN1C(=O)CCc1ccccc1)C2
InChIInChI=1S/C24H33NO3/c1-23(2)18-13-14-24(23,3)20(16-18)28-22(27)19-10-7-15-25(19)21(26)12-11-17-8-5-4-6-9-17/h4-6,8-9,18-20H,7,10-16H2,1-3H3
InChIKeySZKOYFCUCPMFJE-UHFFFAOYSA-N
XLogP4.37
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.53
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-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

4-phenylbutyl (3S)-2-(3,3-dimethyl-2-oxopentanoyl)-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 44350199
4-phenylbutyl (3R)-2-(3,3-dimethyl-2-oxopentanoyl)-2-azabicyclo[2.2.1]heptane-3-carboxylate
CID 44350201
3-Phenylpropyl 1-[2-[4-(2-methylpropyl)phenyl]propanoyl]pyrrolidine-2-carboxylate
CID 76326612
1-O-tert-butyl 2-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S,4E)-4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 59166774
1-O-tert-butyl 2-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-[(2,3-difluorophenyl)methyl]pyrrolidine-1,2-dicarboxylate
CID 59811677
1-O-tert-butyl 2-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (2S)-4-[(3-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxylate
CID 59811678
1-O-tert-butyl 2-O-(5-methyl-2-propan-2-ylcyclohexyl) (4E)-4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 66939724
4-(3-Fluoro-benzylidene)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-(2-isopropyl-5-methyl-cyclohexyl) ester
CID 66939725
4-(3-Fluoro-benzyl)-pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester 2-(2-isopropyl-5-methyl-cyclohexyl)ester
CID 66939726
1-O-tert-butyl 2-O-[(1S,3R)-3-methylcyclohexyl] (2S)-4-[(3-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxylate
CID 67552967
1-O-tert-butyl 2-O-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-[(2,3-difluorophenyl)methyl]pyrrolidine-1,2-dicarboxylate
CID 67555013
1-O-tert-butyl 2-O-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4E)-4-[(3-fluorophenyl)methylidene]pyrrolidine-1,2-dicarboxylate
CID 67557771

Frequently Asked Questions

What is the IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The IUPAC name of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate (CID 166812922) is (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate is CC1(C)C2CCC1(C)C(OC(=O)C1CCCN1C(=O)CCc1ccccc1)C2.
What is the InChIKey of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
The InChIKey is SZKOYFCUCPMFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO3/c1-23(2)18-13-14-24(23,3)20(16-18)28-22(27)19-10-7-15-25(19)21(26)12-11-17-8-5-4-6-9-17/h4-6,8-9,18-20H,7,10-16H2,1-3H3.
What are the key properties of (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate?
(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate has a molecular weight of 383.53 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl) 1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 166812922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).