4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid

C8H14FNO2 — CID 69349870

IUPAC4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCF)CN1
InChIInChI=1S/C8H14FNO2/c9-3-1-2-6-4-7(8(11)12)10-5-6/h6-7,10H,1-5H2,(H,11,12)
InChIKeyUOIIFVOAPJLFES-UHFFFAOYSA-N
MW175.20 g/mol
LogP0.80
Rot. Bonds4

About 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid

4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid (PubChem CID 69349870) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
PubChem CID69349870
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(CCCF)CN1
InChIInChI=1S/C8H14FNO2/c9-3-1-2-6-4-7(8(11)12)10-5-6/h6-7,10H,1-5H2,(H,11,12)
InChIKeyUOIIFVOAPJLFES-UHFFFAOYSA-N
XLogP0.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-4-(2-aminoethyl)pyrrolidine-2-carboxylic acid
CID 11217395
(2S,4R)-4-(aminomethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 75176263
(4S)-4-(hydroxymethyl)pyrrolidine-2-carboxylic acid
CID 5318293
4-[2-[hydroxy(methyl)boranyl]ethyl]pyrrolidine-2-carboxylic acid
CID 158746834
(2R)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 118274051
(2S,4S)-4-prop-2-enylpyrrolidine-2-carboxylic acid
CID 69415459
(2S,4S)-4-(cyanomethyl)pyrrolidine-2-carboxylic acid
CID 11643959
(2S)-4-prop-2-ynylpyrrolidine-2-carboxylic acid
CID 88710869
(2S,4S)-4-(cyclohexylmethyl)pyrrolidine-2-carboxylic acid
CID 10036061
4-(2-cyclopropylethyl)piperidine-2-carboxylic acid
CID 18446255
4-(2,2-dimethoxyethyl)pyrrolidine-2-carboxylic acid
CID 175574261
(2S)-4-aminopyrrolidine-2-carboxylic acid
CID 21120376

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid (CID 69349870) is 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(CCCF)CN1.
What is the InChIKey of 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UOIIFVOAPJLFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-3-1-2-6-4-7(8(11)12)10-5-6/h6-7,10H,1-5H2,(H,11,12).
What are the key properties of 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid?
4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 175.20 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 69349870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).