1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid

C11H21NO4 — CID 147675937

IUPAC1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid
SMILESCCOCCCN1CCC(CO)(C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-2-16-7-3-5-12-6-4-11(8-12,9-13)10(14)15/h13H,2-9H2,1H3,(H,14,15)
InChIKeyGODZPKGOACFNEA-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.18
Rot. Bonds7

About 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid

1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid (PubChem CID 147675937) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid
PubChem CID147675937
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid
SMILESCCOCCCN1CCC(CO)(C(=O)O)C1
InChIInChI=1S/C11H21NO4/c1-2-16-7-3-5-12-6-4-11(8-12,9-13)10(14)15/h13H,2-9H2,1H3,(H,14,15)
InChIKeyGODZPKGOACFNEA-UHFFFAOYSA-N
XLogP0.18
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid (CID 147675937) is 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid is CCOCCCN1CCC(CO)(C(=O)O)C1.
What is the InChIKey of 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is GODZPKGOACFNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-2-16-7-3-5-12-6-4-11(8-12,9-13)10(14)15/h13H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid?
1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 0.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-3-(hydroxymethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 147675937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).