(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid

C15H18FNO4 — CID 119371594

IUPAC(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCCOc1ccccc1F
InChIInChI=1S/C15H18FNO4/c16-11-5-1-2-7-13(11)21-10-4-8-14(18)17-9-3-6-12(17)15(19)20/h1-2,5,7,12H,3-4,6,8-10H2,(H,19,20)/t12-/m1/s1
InChIKeyMECGNASTSVHZDP-GFCCVEGCSA-N
MW295.31 g/mol
LogP2.06
Rot. Bonds6

About (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119371594) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
PubChem CID119371594
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCCOc1ccccc1F
InChIInChI=1S/C15H18FNO4/c16-11-5-1-2-7-13(11)21-10-4-8-14(18)17-9-3-6-12(17)15(19)20/h1-2,5,7,12H,3-4,6,8-10H2,(H,19,20)/t12-/m1/s1
InChIKeyMECGNASTSVHZDP-GFCCVEGCSA-N
XLogP2.06
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 78922238
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(3R)-1-[4-(2-fluorophenoxy)butanoyl]piperidine-3-carboxylic acid
CID 124576580
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
(2R)-1-[3-(2-methylphenoxy)propanoyl]piperidine-2-carboxylic acid
CID 79035276
1-[2-(aminomethyl)pyrrolidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119631870
methyl (2S)-1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butanoyl]pyrrolidine-2-carboxylate
CID 67862935
(2S)-1-(4-benzoylsulfanylbutanoyl)pyrrolidine-2-carboxylic acid
CID 86735054
1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]-4-(2-fluorophenoxy)butan-1-one
CID 55956319
4-(2-fluorophenoxy)-1-[2-(4-methoxyphenyl)azepan-1-yl]butan-1-one
CID 60554330
(2S)-1-[3-(2,6-difluorophenyl)propanoyl]piperidine-2-carboxylic acid
CID 99623401
3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172227

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid (CID 119371594) is (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCCOc1ccccc1F.
What is the InChIKey of (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MECGNASTSVHZDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-5-1-2-7-13(11)21-10-4-8-14(18)17-9-3-6-12(17)15(19)20/h1-2,5,7,12H,3-4,6,8-10H2,(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.31 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119371594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).