4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid

C13H15NO5 — CID 43184306

IUPAC4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)COc1ccccc1
InChIInChI=1S/C13H15NO5/c15-9-6-11(13(17)18)14(7-9)12(16)8-19-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,17,18)
InChIKeyQJDOKHSEVVYVPW-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.11
Rot. Bonds4

About 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid (PubChem CID 43184306) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
PubChem CID43184306
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)COc1ccccc1
InChIInChI=1S/C13H15NO5/c15-9-6-11(13(17)18)14(7-9)12(16)8-19-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,17,18)
InChIKeyQJDOKHSEVVYVPW-UHFFFAOYSA-N
XLogP0.11
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-[2-(4-fluorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63857293
1-[2-(3-chlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356795
2-oxopropyl (2S,4R)-4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylate
CID 95981556
(2S,4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 63855651
(2S)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 61153100
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
1-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-2-phenoxyethanone
CID 66051988
1-[3-(4-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356850
(2S,4S)-1-[2-(2,4-dichlorophenoxy)acetyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713514
(2S,4S)-4-hydroxy-1-(3-phenylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 64714756
(2S)-1-[3-(3-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61153262

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid (CID 43184306) is 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)COc1ccccc1.
What is the InChIKey of 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid?
The InChIKey is QJDOKHSEVVYVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-9-6-11(13(17)18)14(7-9)12(16)8-19-10-4-2-1-3-5-10/h1-5,9,11,15H,6-8H2,(H,17,18).
What are the key properties of 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43184306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).