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

C12H15ClFNO2 — CID 2761965

IUPAC(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1
InChIKeyHKTWPCCWOYHOCB-NINOIYOQSA-N
MW259.71 g/mol
LogP1.85
Rot. Bonds3

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

(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 2761965) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID2761965
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC Name(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1
InChIInChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1
InChIKeyHKTWPCCWOYHOCB-NINOIYOQSA-N
XLogP1.85
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 ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-Fluorophenylalanine
CID 4654
4-fluoro-L-phenylalanine
CID 716312
N-Acetyl-4-fluorophenylalanine
CID 2733295
N-Methylphenylalanine
CID 6951135
2-(Methylamino)-3-phenylpropanoic acid
CID 4657542
Pro-Phe
CID 6351946
3-Fluorophenylalanine
CID 9976
N-Acetyl-2-fluoro-3-phenyl-DL-alanine
CID 99935
(4S)-4-(Phenylmethyl)-L-proline
CID 10104399
4-Fluoro-L-phenylalanine--hydrogen chloride (1/1)
CID 16213123
4-Fluorophenylalanine, D-
CID 716314
5-Oxo-3-phenylpyrrolidine-2-carboxylic acid
CID 5307343

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 2761965) is (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccccc2F)CN1.
What is the InChIKey of (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is HKTWPCCWOYHOCB-NINOIYOQSA-N. The full InChI is InChI=1S/C12H14FNO2.ClH/c13-10-4-2-1-3-9(10)5-8-6-11(12(15)16)14-7-8;/h1-4,8,11,14H,5-7H2,(H,15,16);1H/t8-,11+;/m1./s1.
What are the key properties of (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 259.71 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2761965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).