(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid

C15H19NO5 — CID 61152823

IUPAC(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(Oc1ccccc1)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C15H19NO5/c1-2-13(21-11-6-4-3-5-7-11)14(18)16-9-10(17)8-12(16)15(19)20/h3-7,10,12-13,17H,2,8-9H2,1H3,(H,19,20)/t10?,12-,13?/m0/s1
InChIKeyXDAQWBHQEADOPN-YDGIUTOCSA-N
MW293.32 g/mol
LogP0.89
Rot. Bonds5

About (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 61152823) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
PubChem CID61152823
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid
SMILESCCC(Oc1ccccc1)C(=O)N1CC(O)C[C@H]1C(=O)O
InChIInChI=1S/C15H19NO5/c1-2-13(21-11-6-4-3-5-7-11)14(18)16-9-10(17)8-12(16)15(19)20/h3-7,10,12-13,17H,2,8-9H2,1H3,(H,19,20)/t10?,12-,13?/m0/s1
InChIKeyXDAQWBHQEADOPN-YDGIUTOCSA-N
XLogP0.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-2-phenoxybutan-1-one
CID 79410096
1-(2-phenoxybutanoyl)piperidine-2-carboxylic acid
CID 43092200
1-(3,5-dimethylpiperidin-1-yl)-2-phenoxybutan-1-one
CID 2930941
(2R,4R)-1-[2-(4-bromophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000208
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
(2S)-2-phenoxy-1-[4-[(2S)-2-phenoxybutanoyl]piperazin-1-yl]butan-1-one
CID 7302330
4-hydroxy-1-(2-phenoxyacetyl)pyrrolidine-2-carboxylic acid
CID 43184306
(2R,4R)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 79000234
1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 43356873
(2S,4S)-1-[2-(2-fluorophenoxy)propanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64712835
(2S,4R)-1-(3-amino-2-methoxypropanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 106112905

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid (CID 61152823) is (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid is CCC(Oc1ccccc1)C(=O)N1CC(O)C[C@H]1C(=O)O.
What is the InChIKey of (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XDAQWBHQEADOPN-YDGIUTOCSA-N. The full InChI is InChI=1S/C15H19NO5/c1-2-13(21-11-6-4-3-5-7-11)14(18)16-9-10(17)8-12(16)15(19)20/h3-7,10,12-13,17H,2,8-9H2,1H3,(H,19,20)/t10?,12-,13?/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(2-phenoxybutanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 61152823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).