1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid

C10H18FNO3 — CID 122395587

IUPAC1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(C(=O)O)C(C)(C)N1OCF
InChIInChI=1S/C10H18FNO3/c1-9(2)5-7(8(13)14)10(3,4)12(9)15-6-11/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyKMTUNWBZZNTMFU-UHFFFAOYSA-N
MW219.26 g/mol
LogP1.81
Rot. Bonds3

About 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid

1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid (PubChem CID 122395587) has the molecular formula C10H18FNO3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
PubChem CID122395587
Molecular FormulaC10H18FNO3
Molecular Weight219.26 g/mol
Exact Mass219.13
IUPAC Name1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
SMILESCC1(C)CC(C(=O)O)C(C)(C)N1OCF
InChIInChI=1S/C10H18FNO3/c1-9(2)5-7(8(13)14)10(3,4)12(9)15-6-11/h7H,5-6H2,1-4H3,(H,13,14)
InChIKeyKMTUNWBZZNTMFU-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid
CID 854503
(3S)-2,2,5,5-tetramethyl-1-oxidopyrrolidine-3-carboxylic acid
CID 45038575
7-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)oxyheptyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 140895397
1-(2-methoxyethyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017264
(2,2,5,5-tetramethyl-1-propoxypyrrolidin-3-yl) hexanoate
CID 122414780
1-acetyloxy-2,2,6,6-tetramethyl-3-(nitrooxymethyl)piperidine-4-carboxylic acid
CID 85470233
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
1,2,2-trimethylazetidine-3-carboxylic acid
CID 155290917
(2R)-2-ethyl-2-methylcyclopropane-1-carboxylic acid
CID 134970541
(4-acetamido-2,2,6,6-tetramethylpiperidin-1-yl)oxyazanium tetrafluoroborate
CID 141471658
N-(2-aminoethyl)-1-hydroxy-N-(1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carbonyl)-2,2,5,5-tetramethylpyrrolidine-3-carboxamide
CID 54113282
2,2-dimethylpropanoyl 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 173091347

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid (CID 122395587) is 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid is CC1(C)CC(C(=O)O)C(C)(C)N1OCF.
What is the InChIKey of 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
The InChIKey is KMTUNWBZZNTMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FNO3/c1-9(2)5-7(8(13)14)10(3,4)12(9)15-6-11/h7H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid?
1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid has a molecular weight of 219.26 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122395587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).