3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid

C11H21NO3 — CID 106454831

IUPAC3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
SMILESCCCOCCN1CCC(C)C1C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-7-15-8-6-12-5-4-9(2)10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXHIULTQZPJMZRX-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.21
Rot. Bonds6

About 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid

3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid (PubChem CID 106454831) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
PubChem CID106454831
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
SMILESCCCOCCN1CCC(C)C1C(=O)O
InChIInChI=1S/C11H21NO3/c1-3-7-15-8-6-12-5-4-9(2)10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14)
InChIKeyXHIULTQZPJMZRX-UHFFFAOYSA-N
XLogP1.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid (CID 106454831) is 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid is CCCOCCN1CCC(C)C1C(=O)O.
What is the InChIKey of 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XHIULTQZPJMZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-7-15-8-6-12-5-4-9(2)10(12)11(13)14/h9-10H,3-8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid?
3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 215.29 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propoxyethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106454831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).