5-ethyl-1-methylpyrrolidine-3-carboxylic acid

C8H15NO2 — CID 20810105

IUPAC5-ethyl-1-methylpyrrolidine-3-carboxylic acid
SMILESCCC1CC(C(=O)O)CN1C
InChIInChI=1S/C8H15NO2/c1-3-7-4-6(8(10)11)5-9(7)2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyGCISCJVMDSTJLL-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.80
Rot. Bonds2

About 5-ethyl-1-methylpyrrolidine-3-carboxylic acid

5-ethyl-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 20810105) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 5-ethyl-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1-methylpyrrolidine-3-carboxylic acid
PubChem CID20810105
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name5-ethyl-1-methylpyrrolidine-3-carboxylic acid
SMILESCCC1CC(C(=O)O)CN1C
InChIInChI=1S/C8H15NO2/c1-3-7-4-6(8(10)11)5-9(7)2/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyGCISCJVMDSTJLL-UHFFFAOYSA-N
XLogP0.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 5-ethyl-1-methylpyrrolidine-3-carboxylic acid (CID 20810105) is 5-ethyl-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1-methylpyrrolidine-3-carboxylic acid is CCC1CC(C(=O)O)CN1C.
What is the InChIKey of 5-ethyl-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GCISCJVMDSTJLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-7-4-6(8(10)11)5-9(7)2/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 5-ethyl-1-methylpyrrolidine-3-carboxylic acid?
5-ethyl-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 20810105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).