(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride

C6H11ClFNO2 — CID 170166786

IUPAC(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESC[C@]1(F)CN[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C6H10FNO2.ClH/c1-6(7)2-4(5(9)10)8-3-6;/h4,8H,2-3H2,1H3,(H,9,10);1H/t4-,6+;/m0./s1
InChIKeyHIMNRJMDNSRJSW-SCBRTWSOSA-N
MW183.61 g/mol
LogP0.58
Rot. Bonds1

About (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 170166786) has the molecular formula C6H11ClFNO2 and a molecular weight of 183.61 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID170166786
Molecular FormulaC6H11ClFNO2
Molecular Weight183.61 g/mol
Exact Mass183.05
IUPAC Name(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESC[C@]1(F)CN[C@H](C(=O)O)C1.Cl
InChIInChI=1S/C6H10FNO2.ClH/c1-6(7)2-4(5(9)10)8-3-6;/h4,8H,2-3H2,1H3,(H,9,10);1H/t4-,6+;/m0./s1
InChIKeyHIMNRJMDNSRJSW-SCBRTWSOSA-N
XLogP0.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.61
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride (CID 170166786) is (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride is C[C@]1(F)CN[C@H](C(=O)O)C1.Cl.
What is the InChIKey of (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is HIMNRJMDNSRJSW-SCBRTWSOSA-N. The full InChI is InChI=1S/C6H10FNO2.ClH/c1-6(7)2-4(5(9)10)8-3-6;/h4,8H,2-3H2,1H3,(H,9,10);1H/t4-,6+;/m0./s1.
What are the key properties of (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 183.61 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-4-methylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 170166786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).