(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid

C14H16FNO4 — CID 78922238

IUPAC(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCOc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-10-4-1-2-6-12(10)20-9-7-13(17)16-8-3-5-11(16)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H,18,19)/t11-/m1/s1
InChIKeyDERDHTNCXIKFIS-LLVKDONJSA-N
MW281.28 g/mol
LogP1.67
Rot. Bonds5

About (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid

(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid (PubChem CID 78922238) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
PubChem CID78922238
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCN1C(=O)CCOc1ccccc1F
InChIInChI=1S/C14H16FNO4/c15-10-4-1-2-6-12(10)20-9-7-13(17)16-8-3-5-11(16)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H,18,19)/t11-/m1/s1
InChIKeyDERDHTNCXIKFIS-LLVKDONJSA-N
XLogP1.67
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[4-(2-fluorophenoxy)butanoyl]pyrrolidine-2-carboxylic acid
CID 119371594
(2R)-1-[2-(2-fluorophenoxy)acetyl]piperidine-2-carboxylic acid
CID 79034586
(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
1-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909139
3-[3-(2-fluorophenoxy)propanoyl]-1,3-thiazolidine-4-carboxylic acid
CID 43172227
(2S)-1-[3-(2,4-dichlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365280
1-(3-phenoxypropanoyl)azepane-2-carboxylic acid
CID 64559753
1-[2-(aminomethyl)piperidin-1-yl]-3-(2-fluorophenoxy)propan-1-one;hydrochloride
CID 119467095
(2S)-1-[3-(4-chlorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid
CID 92924493
1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-3-carboxylic acid
CID 63031287
1-(3-phenylmethoxypropanoyl)pyrrolidine-2-carboxylic acid
CID 122133029

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid (CID 78922238) is (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@H]1CCCN1C(=O)CCOc1ccccc1F.
What is the InChIKey of (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DERDHTNCXIKFIS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16FNO4/c15-10-4-1-2-6-12(10)20-9-7-13(17)16-8-3-5-11(16)14(18)19/h1-2,4,6,11H,3,5,7-9H2,(H,18,19)/t11-/m1/s1.
What are the key properties of (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid?
(2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 281.28 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[3-(2-fluorophenoxy)propanoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 78922238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).