(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H15ClFNO2 — CID 2761830

IUPAC(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@]1(Cc2ccc(F)cc2)CCCN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12;/h2-5,14H,1,6-8H2,(H,15,16);1H/t12-;/m1./s1
InChIKeyXXKIVTMVJSAYSR-UTONKHPSSA-N
MW259.71 g/mol
LogP2.00
Rot. Bonds3

About (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 2761830) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID2761830
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@]1(Cc2ccc(F)cc2)CCCN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12;/h2-5,14H,1,6-8H2,(H,15,16);1H/t12-;/m1./s1
InChIKeyXXKIVTMVJSAYSR-UTONKHPSSA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 2761830) is (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@]1(Cc2ccc(F)cc2)CCCN1.
What is the InChIKey of (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is XXKIVTMVJSAYSR-UTONKHPSSA-N. The full InChI is InChI=1S/C12H14FNO2.ClH/c13-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-14-12;/h2-5,14H,1,6-8H2,(H,15,16);1H/t12-;/m1./s1.
What are the key properties of (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 259.71 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2761830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).