4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid

C11H21NO3 — CID 106676158

IUPAC4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid
SMILESCOC(C)(C)CC(C(=O)O)N1CCCC1
InChIInChI=1S/C11H21NO3/c1-11(2,15-3)8-9(10(13)14)12-6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHFLLWQAKNWXJMR-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.35
Rot. Bonds5

About 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid

4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid (PubChem CID 106676158) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid.

Molecular Properties

Compound Name4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid
PubChem CID106676158
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid
SMILESCOC(C)(C)CC(C(=O)O)N1CCCC1
InChIInChI=1S/C11H21NO3/c1-11(2,15-3)8-9(10(13)14)12-6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14)
InChIKeyHFLLWQAKNWXJMR-UHFFFAOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid?
The IUPAC name of 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid (CID 106676158) is 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid.
What is the SMILES notation for 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid?
The canonical SMILES for 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid is COC(C)(C)CC(C(=O)O)N1CCCC1.
What is the InChIKey of 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid?
The InChIKey is HFLLWQAKNWXJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(2,15-3)8-9(10(13)14)12-6-4-5-7-12/h9H,4-8H2,1-3H3,(H,13,14).
What are the key properties of 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid?
4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-2-pyrrolidin-1-ylpentanoic acid is sourced from PubChem (CID 106676158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).