2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid

C8H13F2NO2 — CID 130704061

IUPAC2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCC[C@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5(8(12)13)11-4-2-3-6(11)7(9)10/h5-7H,2-4H2,1H3,(H,12,13)/t5?,6-/m0/s1
InChIKeyNGFXSUCJHVPQJZ-GDVGLLTNSA-N
MW193.19 g/mol
LogP1.19
Rot. Bonds3

About 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid

2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 130704061) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid
PubChem CID130704061
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCC[C@H]1C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5(8(12)13)11-4-2-3-6(11)7(9)10/h5-7H,2-4H2,1H3,(H,12,13)/t5?,6-/m0/s1
InChIKeyNGFXSUCJHVPQJZ-GDVGLLTNSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid (CID 130704061) is 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid is CC(C(=O)O)N1CCC[C@H]1C(F)F.
What is the InChIKey of 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is NGFXSUCJHVPQJZ-GDVGLLTNSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5(8(12)13)11-4-2-3-6(11)7(9)10/h5-7H,2-4H2,1H3,(H,12,13)/t5?,6-/m0/s1.
What are the key properties of 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid?
2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 193.19 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(difluoromethyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 130704061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).