(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid

C9H16FNO2 — CID 118551124

IUPAC(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(C)(C)N1CC[C@](F)(C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,3)11-5-4-9(10,6-11)7(12)13/h4-6H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyHTJRNQRRBYYVGF-SECBINFHSA-N
MW189.23 g/mol
LogP1.28
Rot. Bonds1

About (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid

(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 118551124) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID118551124
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid
SMILESCC(C)(C)N1CC[C@](F)(C(=O)O)C1
InChIInChI=1S/C9H16FNO2/c1-8(2,3)11-5-4-9(10,6-11)7(12)13/h4-6H2,1-3H3,(H,12,13)/t9-/m1/s1
InChIKeyHTJRNQRRBYYVGF-SECBINFHSA-N
XLogP1.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methylpyrrolidine-3-carboxylic acid
CID 322598
1-(3-Methoxy-2-methyl-3-oxopropyl)pyrrolidine-3-carboxylic acid
CID 44890871
1-Methyl-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708735
rac-(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid hydrochloride
CID 132353867
(3R)-1-Methylpyrrolidine-3-carboxylic acid
CID 36688378
(3S)-4-fluoro-1,3-dimethylpyrrolidine-3-carboxylic acid
CID 57758651
1-(Fluoromethyl)pyrrolidine-3-carboxylic acid
CID 67043464
1-Methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 82399166
3-Fluoro-1-methylpyrrolidine-3-carboxylic acid
CID 84020787
(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 121552572
(3R)-1-cyclobutyl-3-fluoropyrrolidine-3-carboxylic acid
CID 130195708
1-[(1R,2R)-2-fluorocyclopentyl]pyrrolidine-3-carboxylic acid
CID 166562379

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid (CID 118551124) is (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid is CC(C)(C)N1CC[C@](F)(C(=O)O)C1.
What is the InChIKey of (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is HTJRNQRRBYYVGF-SECBINFHSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-8(2,3)11-5-4-9(10,6-11)7(12)13/h4-6H2,1-3H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid?
(3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 118551124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).