1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

C14H19NO4 — CID 114351656

IUPAC1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1CN1CC(O)CC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-2-19-13-6-4-3-5-10(13)8-15-9-11(16)7-12(15)14(17)18/h3-6,11-12,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyJQECDRNMLOUZRT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.11
Rot. Bonds5

About 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid

1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114351656) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114351656
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCCOc1ccccc1CN1CC(O)CC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-2-19-13-6-4-3-5-10(13)8-15-9-11(16)7-12(15)14(17)18/h3-6,11-12,16H,2,7-9H2,1H3,(H,17,18)
InChIKeyJQECDRNMLOUZRT-UHFFFAOYSA-N
XLogP1.11
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 115971497
1-[[2-(difluoromethoxy)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351798
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
1-[(2-ethoxyphenyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61182751
1-[(2-cyano-3-pyridinyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351750
1-[(2,4-dichlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351539
1-[4-[(2-ethoxyphenyl)methyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 110426711
(2S)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 61153100
(2S,4R)-4-hydroxy-1-[2-(2-methoxyphenoxy)acetyl]pyrrolidine-2-carboxylic acid
CID 63855651
1-[(1S,5S)-6-[(2-ethoxyphenyl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 133119220
1-[(4-tert-butylphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351284
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid (CID 114351656) is 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is CCOc1ccccc1CN1CC(O)CC1C(=O)O.
What is the InChIKey of 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JQECDRNMLOUZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-2-19-13-6-4-3-5-10(13)8-15-9-11(16)7-12(15)14(17)18/h3-6,11-12,16H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid?
1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).