(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H16FNO5 — CID 79000573

IUPAC(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCOc1cccc(F)c1
InChIInChI=1S/C14H16FNO5/c15-9-2-1-3-11(6-9)21-5-4-13(18)16-8-10(17)7-12(16)14(19)20/h1-3,6,10,12,17H,4-5,7-8H2,(H,19,20)/t10-,12-/m1/s1
InChIKeyOTVVCPPPAYSUDD-ZYHUDNBSSA-N
MW297.28 g/mol
LogP0.64
Rot. Bonds5

About (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid

(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 79000573) has the molecular formula C14H16FNO5 and a molecular weight of 297.28 g/mol. Its IUPAC name is (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID79000573
Molecular FormulaC14H16FNO5
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCOc1cccc(F)c1
InChIInChI=1S/C14H16FNO5/c15-9-2-1-3-11(6-9)21-5-4-13(18)16-8-10(17)7-12(16)14(19)20/h1-3,6,10,12,17H,4-5,7-8H2,(H,19,20)/t10-,12-/m1/s1
InChIKeyOTVVCPPPAYSUDD-ZYHUDNBSSA-N
XLogP0.64
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262
1-[3-(4-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356850
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577
3-(3-fluorophenoxy)-1-(3-hydroxypyrrolidin-1-yl)propan-1-one
CID 62916919
1-[2-(3-chlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356795
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
3-(3-fluorophenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93041279
(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857293
(2S,4S)-1-[3-(3-fluorophenoxy)propanoyl]-4-methylpiperidine-2-carboxamide
CID 99787900
(2S,4R)-1-[3-(4-fluorophenyl)sulfanylpropanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841630
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
(2S,4S)-4-hydroxy-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 64714756

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 79000573) is (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@H]1C[C@@H](O)CN1C(=O)CCOc1cccc(F)c1.
What is the InChIKey of (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is OTVVCPPPAYSUDD-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H16FNO5/c15-9-2-1-3-11(6-9)21-5-4-13(18)16-8-10(17)7-12(16)14(19)20/h1-3,6,10,12,17H,4-5,7-8H2,(H,19,20)/t10-,12-/m1/s1.
What are the key properties of (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid?
(2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 297.28 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79000573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).