2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid

C15H20FNO2 — CID 146297722

IUPAC2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1(c2ccc(F)cc2)CCCN1C(=O)O
InChIInChI=1S/C15H20FNO2/c1-14(2,3)15(9-4-10-17(15)13(18)19)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyIKLYKSQPZDJRKZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.84
Rot. Bonds1

About 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid

2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid (PubChem CID 146297722) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid
PubChem CID146297722
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1(c2ccc(F)cc2)CCCN1C(=O)O
InChIInChI=1S/C15H20FNO2/c1-14(2,3)15(9-4-10-17(15)13(18)19)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,18,19)
InChIKeyIKLYKSQPZDJRKZ-UHFFFAOYSA-N
XLogP3.84
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-tert-butyl-2-[(3-fluoroanilino)methyl]pyrrolidine-1-carboxylic acid
CID 67445507
3-tert-butyl-1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
CID 65017269
4-(4-fluorophenyl)-4-hydroxy-3,3-dimethylpiperidine-1-carboxylic acid
CID 67299829
(2S)-2-tert-butyl-2-[5-[(3,4-dimethoxyphenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidine-1-carboxylic acid
CID 141455104
(5R,8S)-8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid
CID 68705687
8-(3,5-difluorophenyl)-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylic acid
CID 69014311
1-tert-butyl-4-(4-fluorophenyl)piperidin-4-ol
CID 58721778
2-tert-butyl-2-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyrrolidine-1-carboxylic acid
CID 175193315
1-acetyl-3-ethyl-6,6-bis(4-fluorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 135067206
2-ethyl-1-[(4-fluorophenyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 83061006
[(2S)-oxolan-2-yl]-[2-phenyl-2-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 86801790
(1S)-2,2-bis(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 129382428

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid (CID 146297722) is 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid is CC(C)(C)C1(c2ccc(F)cc2)CCCN1C(=O)O.
What is the InChIKey of 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid?
The InChIKey is IKLYKSQPZDJRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-14(2,3)15(9-4-10-17(15)13(18)19)11-5-7-12(16)8-6-11/h5-8H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid?
2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-2-(4-fluorophenyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 146297722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).