4,4-diethylpyrrolidine-3-carboxylic acid

C9H17NO2 — CID 63939611

IUPAC4,4-diethylpyrrolidine-3-carboxylic acid
SMILESCCC1(CC)CNCC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(4-2)6-10-5-7(9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyBVRGKKQRGVYZSY-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.10
Rot. Bonds3

About 4,4-diethylpyrrolidine-3-carboxylic acid

4,4-diethylpyrrolidine-3-carboxylic acid (PubChem CID 63939611) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4,4-diethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4,4-diethylpyrrolidine-3-carboxylic acid
PubChem CID63939611
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4,4-diethylpyrrolidine-3-carboxylic acid
SMILESCCC1(CC)CNCC1C(=O)O
InChIInChI=1S/C9H17NO2/c1-3-9(4-2)6-10-5-7(9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12)
InChIKeyBVRGKKQRGVYZSY-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-diethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4,4-diethylpyrrolidine-3-carboxylic acid (CID 63939611) is 4,4-diethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4,4-diethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4,4-diethylpyrrolidine-3-carboxylic acid is CCC1(CC)CNCC1C(=O)O.
What is the InChIKey of 4,4-diethylpyrrolidine-3-carboxylic acid?
The InChIKey is BVRGKKQRGVYZSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(4-2)6-10-5-7(9)8(11)12/h7,10H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 4,4-diethylpyrrolidine-3-carboxylic acid?
4,4-diethylpyrrolidine-3-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-diethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63939611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).