4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride

C8H16ClNO2 — CID 53398420

IUPAC4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC(C)C1CNCC1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5(2)6-3-9-4-7(6)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyKQUQFLJSGGPCAU-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.98
Rot. Bonds2

About 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride

4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 53398420) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID53398420
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride
SMILESCC(C)C1CNCC1C(=O)O.Cl
InChIInChI=1S/C8H15NO2.ClH/c1-5(2)6-3-9-4-7(6)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H
InChIKeyKQUQFLJSGGPCAU-UHFFFAOYSA-N
XLogP0.98
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride (CID 53398420) is 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride is CC(C)C1CNCC1C(=O)O.Cl.
What is the InChIKey of 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is KQUQFLJSGGPCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c1-5(2)6-3-9-4-7(6)8(10)11;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H.
What are the key properties of 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride?
4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 53398420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).