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

C13H15ClF3NO2 — CID 2762030

IUPAC(2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-8(2-4-10)5-9-6-11(12(18)19)17-7-9;/h1-4,9,11,17H,5-7H2,(H,18,19);1H/t9-,11+;/m1./s1
InChIKeyLZNHALZTDTVONZ-XQKZEKTMSA-N
MW309.72 g/mol
LogP2.73
Rot. Bonds3

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

(2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 2762030) has the molecular formula C13H15ClF3NO2 and a molecular weight of 309.72 g/mol. Its IUPAC name is (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID2762030
Molecular FormulaC13H15ClF3NO2
Molecular Weight309.72 g/mol
Exact Mass309.07
IUPAC Name(2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(C(F)(F)F)cc2)CN1
InChIInChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-8(2-4-10)5-9-6-11(12(18)19)17-7-9;/h1-4,9,11,17H,5-7H2,(H,18,19);1H/t9-,11+;/m1./s1
InChIKeyLZNHALZTDTVONZ-XQKZEKTMSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.72
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 2762030) is (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](Cc2ccc(C(F)(F)F)cc2)CN1.
What is the InChIKey of (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is LZNHALZTDTVONZ-XQKZEKTMSA-N. The full InChI is InChI=1S/C13H14F3NO2.ClH/c14-13(15,16)10-3-1-8(2-4-10)5-9-6-11(12(18)19)17-7-9;/h1-4,9,11,17H,5-7H2,(H,18,19);1H/t9-,11+;/m1./s1.
What are the key properties of (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 309.72 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 2762030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).