2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid

C10H17F2NO3 — CID 121204128

IUPAC2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid
SMILESCCOCC1CC(F)(F)CN1C(C)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-3-16-5-8-4-10(11,12)6-13(8)7(2)9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyPXYOMWULGHXILL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.21
Rot. Bonds5

About 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid

2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid (PubChem CID 121204128) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid
PubChem CID121204128
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC Name2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid
SMILESCCOCC1CC(F)(F)CN1C(C)C(=O)O
InChIInChI=1S/C10H17F2NO3/c1-3-16-5-8-4-10(11,12)6-13(8)7(2)9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15)
InChIKeyPXYOMWULGHXILL-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Tert-butyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 64689351
2-(2-(Hydroxymethyl)pyrrolidin-1-yl)acetic acid; trifluoroacetic acid
CID 165672165
Ethyl 1-(4,4,4-trifluorobutan-2-yl)pyrrolidine-2-carboxylate
CID 86815914
4,4-Difluoro-1-propylpyrrolidine-2-carboxylic acid
CID 57673968
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]propanoic acid
CID 58778418
1-(2,2-Difluoro-4-methyloxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 67193969
(2S)-4-acetyloxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 88368403
(2S)-4,4-difluoro-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 122498444
4,4-Difluoro-1-(oxetan-3-yl)pyrrolidine-2-carboxylic acid
CID 123425737
Ethyl 4,4-difluoro-1-propylpyrrolidine-2-carboxylate
CID 124199137
Ethyl 1-ethyl-4,4-difluoropyrrolidine-2-carboxylate
CID 126480632
4,4-Difluoro-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 130218485

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid (CID 121204128) is 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid is CCOCC1CC(F)(F)CN1C(C)C(=O)O.
What is the InChIKey of 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid?
The InChIKey is PXYOMWULGHXILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-3-16-5-8-4-10(11,12)6-13(8)7(2)9(14)15/h7-8H,3-6H2,1-2H3,(H,14,15).
What are the key properties of 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid?
2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid has a molecular weight of 237.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 121204128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).