2-propan-2-ylpyrrolidine-1-carboxylic acid

C8H15NO2 — CID 23080039

IUPAC2-propan-2-ylpyrrolidine-1-carboxylic acid
SMILESCC(C)C1CCCN1C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)7-4-3-5-9(7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyWQBFWMJXCJADIX-UHFFFAOYSA-N
MW157.21 g/mol
LogP1.78
Rot. Bonds1

About 2-propan-2-ylpyrrolidine-1-carboxylic acid

2-propan-2-ylpyrrolidine-1-carboxylic acid (PubChem CID 23080039) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 2-propan-2-ylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-ylpyrrolidine-1-carboxylic acid
PubChem CID23080039
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name2-propan-2-ylpyrrolidine-1-carboxylic acid
SMILESCC(C)C1CCCN1C(=O)O
InChIInChI=1S/C8H15NO2/c1-6(2)7-4-3-5-9(7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11)
InChIKeyWQBFWMJXCJADIX-UHFFFAOYSA-N
XLogP1.78
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-propan-2-ylpyrrolidine-1-carboxylic acid (CID 23080039) is 2-propan-2-ylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-propan-2-ylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-propan-2-ylpyrrolidine-1-carboxylic acid is CC(C)C1CCCN1C(=O)O.
What is the InChIKey of 2-propan-2-ylpyrrolidine-1-carboxylic acid?
The InChIKey is WQBFWMJXCJADIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-6(2)7-4-3-5-9(7)8(10)11/h6-7H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-propan-2-ylpyrrolidine-1-carboxylic acid?
2-propan-2-ylpyrrolidine-1-carboxylic acid has a molecular weight of 157.21 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 23080039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).