4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid

C10H15F2NO4 — CID 172819851

IUPAC4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid
SMILESCOC(=O)C(C)CC1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C10H15F2NO4/c1-6(8(14)17-2)3-7-4-10(11,12)5-13(7)9(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyUBQCYDBEYZTYDQ-UHFFFAOYSA-N
MW251.23 g/mol
LogP1.57
Rot. Bonds3

About 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid

4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid (PubChem CID 172819851) has the molecular formula C10H15F2NO4 and a molecular weight of 251.23 g/mol. Its IUPAC name is 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid
PubChem CID172819851
Molecular FormulaC10H15F2NO4
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid
SMILESCOC(=O)C(C)CC1CC(F)(F)CN1C(=O)O
InChIInChI=1S/C10H15F2NO4/c1-6(8(14)17-2)3-7-4-10(11,12)5-13(7)9(15)16/h6-7H,3-5H2,1-2H3,(H,15,16)
InChIKeyUBQCYDBEYZTYDQ-UHFFFAOYSA-N
XLogP1.57
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-{1-[(Tert-butoxy)carbonyl]pyrrolidin-2-yl}-4,4,4-trifluorobutanoic acid
CID 165827466
(R)-3-(1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)propanoic acid
CID 117939352
3-((S)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)-2-methylpropanoic acid
CID 118102672
(2S)-tert-butyl 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 118102742
(2R)-tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)-4,4-difluoropyrrolidine-1-carboxylate
CID 118102743
(2S)-tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)-4,4-difluoropyrrolidine-1-carboxylate
CID 118102862
3-((R)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)butanoic acid
CID 118102922
(2R)-tert-butyl 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 118102925
3-((S)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)butanoic acid
CID 118102957
3-((R)-1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)-2-methylpropanoic acid
CID 118102965
(S)-3-(1-(tert-butoxycarbonyl)-4,4-difluoropyrrolidin-2-yl)propanoic-acid
CID 121483125
3-[4,4-Difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]butanoic acid
CID 121483134

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid (CID 172819851) is 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid is COC(=O)C(C)CC1CC(F)(F)CN1C(=O)O.
What is the InChIKey of 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid?
The InChIKey is UBQCYDBEYZTYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2NO4/c1-6(8(14)17-2)3-7-4-10(11,12)5-13(7)9(15)16/h6-7H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid?
4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid has a molecular weight of 251.23 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 172819851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).