1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

C14H19NO4 — CID 65066376

IUPAC1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cc(C(C)N2CCC(C(=O)O)C2)ccc1O
InChIInChI=1S/C14H19NO4/c1-9(15-6-5-11(8-15)14(17)18)10-3-4-12(16)13(7-10)19-2/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyOURYOMNUNFBWBX-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.87
Rot. Bonds4

About 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid

1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 65066376) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID65066376
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESCOc1cc(C(C)N2CCC(C(=O)O)C2)ccc1O
InChIInChI=1S/C14H19NO4/c1-9(15-6-5-11(8-15)14(17)18)10-3-4-12(16)13(7-10)19-2/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,18)
InChIKeyOURYOMNUNFBWBX-UHFFFAOYSA-N
XLogP1.87
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 65066376) is 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is COc1cc(C(C)N2CCC(C(=O)O)C2)ccc1O.
What is the InChIKey of 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is OURYOMNUNFBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-9(15-6-5-11(8-15)14(17)18)10-3-4-12(16)13(7-10)19-2/h3-4,7,9,11,16H,5-6,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-hydroxy-3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 65066376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).