2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid

C21H27NO2 — CID 67480127

IUPAC2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27NO2/c23-19(24)22-8-4-7-21(22,18-5-2-1-3-6-18)20-12-15-9-16(13-20)11-17(10-15)14-20/h1-3,5-6,15-17H,4,7-14H2,(H,23,24)
InChIKeyXORKJPFPINZZHH-UHFFFAOYSA-N
MW325.45 g/mol
LogP4.87
Rot. Bonds2

About 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid

2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid (PubChem CID 67480127) has the molecular formula C21H27NO2 and a molecular weight of 325.45 g/mol. Its IUPAC name is 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid
PubChem CID67480127
Molecular FormulaC21H27NO2
Molecular Weight325.45 g/mol
Exact Mass325.20
IUPAC Name2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1(c1ccccc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C21H27NO2/c23-19(24)22-8-4-7-21(22,18-5-2-1-3-6-18)20-12-15-9-16(13-20)11-17(10-15)14-20/h1-3,5-6,15-17H,4,7-14H2,(H,23,24)
InChIKeyXORKJPFPINZZHH-UHFFFAOYSA-N
XLogP4.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.45
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-1-yl-[(5S,7R)-3-phenyl-1-adamantyl]methanone
CID 52510423
1-adamantyl-(4-phenylpiperidin-1-yl)methanone
CID 2921328
3-(1-adamantyl)-1-pentyl-3-phenylpiperidine;hydrochloride
CID 90331301
(2S)-2-benzyl-2-carbonochloridoylpyrrolidine-1-carboxylic acid
CID 118093412
(2R)-1-acetyl-2-phenylpyrrolidine-2-carboxylic acid
CID 761131
1-adamantyl(1-azaspiro[4.5]decan-1-yl)methanone
CID 10662063
1-[2-(aminomethyl)-2-phenylpyrrolidin-1-yl]ethanone
CID 86102359
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
[4-(adamantane-1-carbonyl)piperazin-1-yl]-[1-(3-fluorophenyl)cyclobutyl]methanone
CID 55538682
azepan-1-yl-[1-[(5S,7S)-3-phenyladamantane-1-carbonyl]piperidin-4-yl]methanone
CID 98537815
1-adamantyl-phenyl-piperidin-1-ylphosphane
CID 174986647
[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 86801790

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid (CID 67480127) is 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1(c1ccccc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid?
The InChIKey is XORKJPFPINZZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2/c23-19(24)22-8-4-7-21(22,18-5-2-1-3-6-18)20-12-15-9-16(13-20)11-17(10-15)14-20/h1-3,5-6,15-17H,4,7-14H2,(H,23,24).
What are the key properties of 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid?
2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid has a molecular weight of 325.45 g/mol, XLogP of 4.87, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-adamantyl)-2-phenylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67480127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).