(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate

C14H19NO4 — CID 66291413

IUPAC(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
SMILESCCOc1ccc(OC(=O)CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H19NO4/c1-2-18-12-3-5-13(6-4-12)19-14(17)10-15-8-7-11(16)9-15/h3-6,11,16H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyOEHHLIFJBOHOME-LLVKDONJSA-N
MW265.31 g/mol
LogP1.06
Rot. Bonds5

About (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate

(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate (PubChem CID 66291413) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate.

Molecular Properties

Compound Name(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
PubChem CID66291413
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
SMILESCCOc1ccc(OC(=O)CN2CC[C@@H](O)C2)cc1
InChIInChI=1S/C14H19NO4/c1-2-18-12-3-5-13(6-4-12)19-14(17)10-15-8-7-11(16)9-15/h3-6,11,16H,2,7-10H2,1H3/t11-/m1/s1
InChIKeyOEHHLIFJBOHOME-LLVKDONJSA-N
XLogP1.06
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-ethoxyphenyl) 2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]acetate
CID 79410220
(4-ethoxyphenyl) 2-[3-(hydroxymethyl)pyrrolidin-1-yl]acetate
CID 62372596
(4-ethoxyphenyl) 2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetate
CID 115966761
(4-ethoxyphenyl) 2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetate
CID 63263850
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3R)-1-(4-ethoxyphenyl)pyrrolidin-3-ol
CID 95732309
methyl 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate
CID 63365238
(3R)-1-(4-ethoxyphenyl)sulfonylpyrrolidin-3-ol
CID 66291356
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224272
1-(4-ethoxyphenyl)piperidin-3-ol
CID 117012789
(3S)-1-[(3-ethoxyphenyl)methyl]pyrrolidin-3-ol
CID 103882936
N-(6-ethoxy-1,3-benzothiazol-2-yl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 167869533

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
The IUPAC name of (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate (CID 66291413) is (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate.
What is the SMILES notation for (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
The canonical SMILES for (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate is CCOc1ccc(OC(=O)CN2CC[C@@H](O)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
The InChIKey is OEHHLIFJBOHOME-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-18-12-3-5-13(6-4-12)19-14(17)10-15-8-7-11(16)9-15/h3-6,11,16H,2,7-10H2,1H3/t11-/m1/s1.
What are the key properties of (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate?
(4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate has a molecular weight of 265.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl) 2-[(3R)-3-hydroxypyrrolidin-1-yl]acetate is sourced from PubChem (CID 66291413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).