(2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid

C8H13F2NO3 — CID 124644150

IUPAC(2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid
SMILESCOC[C@H](C(=O)O)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO3/c1-14-4-6(7(12)13)11-3-2-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyWTBVRYPZNRJPSE-ZCFIWIBFSA-N
MW209.19 g/mol
LogP0.43
Rot. Bonds4

About (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid

(2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid (PubChem CID 124644150) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid
PubChem CID124644150
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name(2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid
SMILESCOC[C@H](C(=O)O)N1CCC(F)(F)C1
InChIInChI=1S/C8H13F2NO3/c1-14-4-6(7(12)13)11-3-2-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)/t6-/m1/s1
InChIKeyWTBVRYPZNRJPSE-ZCFIWIBFSA-N
XLogP0.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid?
The IUPAC name of (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid (CID 124644150) is (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid.
What is the SMILES notation for (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid?
The canonical SMILES for (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid is COC[C@H](C(=O)O)N1CCC(F)(F)C1.
What is the InChIKey of (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid?
The InChIKey is WTBVRYPZNRJPSE-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-14-4-6(7(12)13)11-3-2-8(9,10)5-11/h6H,2-5H2,1H3,(H,12,13)/t6-/m1/s1.
What are the key properties of (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid?
(2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid has a molecular weight of 209.19 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,3-difluoropyrrolidin-1-yl)-3-methoxypropanoic acid is sourced from PubChem (CID 124644150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).