1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid

C14H27NO3 — CID 103034704

IUPAC1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC(C)(C)OC)C1
InChIInChI=1S/C14H27NO3/c1-5-6-14(12(16)17)8-10-15(11-14)9-7-13(2,3)18-4/h5-11H2,1-4H3,(H,16,17)
InChIKeyWEGUXKCWCDBNDG-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.38
Rot. Bonds7

About 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid

1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid (PubChem CID 103034704) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid
PubChem CID103034704
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(CCC(C)(C)OC)C1
InChIInChI=1S/C14H27NO3/c1-5-6-14(12(16)17)8-10-15(11-14)9-7-13(2,3)18-4/h5-11H2,1-4H3,(H,16,17)
InChIKeyWEGUXKCWCDBNDG-UHFFFAOYSA-N
XLogP2.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid (CID 103034704) is 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid is CCCC1(C(=O)O)CCN(CCC(C)(C)OC)C1.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid?
The InChIKey is WEGUXKCWCDBNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-5-6-14(12(16)17)8-10-15(11-14)9-7-13(2,3)18-4/h5-11H2,1-4H3,(H,16,17).
What are the key properties of 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid?
1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid has a molecular weight of 257.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-3-propylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 103034704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).