(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride

C15H15BrClNO3 — CID 68588737

IUPAC(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2Br)CN1
InChIInChI=1S/C15H14BrNO3.ClH/c16-14-11-4-2-1-3-9(11)5-6-13(14)20-10-7-12(15(18)19)17-8-10;/h1-6,10,12,17H,7-8H2,(H,18,19);1H/t10-,12+;/m1./s1
InChIKeyUQPYJPINCBRXGK-IYJPBCIQSA-N
MW372.65 g/mol
LogP3.22
Rot. Bonds3

About (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 68588737) has the molecular formula C15H15BrClNO3 and a molecular weight of 372.65 g/mol. Its IUPAC name is (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID68588737
Molecular FormulaC15H15BrClNO3
Molecular Weight372.65 g/mol
Exact Mass370.99
IUPAC Name(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2Br)CN1
InChIInChI=1S/C15H14BrNO3.ClH/c16-14-11-4-2-1-3-9(11)5-6-13(14)20-10-7-12(15(18)19)17-8-10;/h1-6,10,12,17H,7-8H2,(H,18,19);1H/t10-,12+;/m1./s1
InChIKeyUQPYJPINCBRXGK-IYJPBCIQSA-N
XLogP3.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride (CID 68588737) is (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)[C@@H]1C[C@@H](Oc2ccc3ccccc3c2Br)CN1.
What is the InChIKey of (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is UQPYJPINCBRXGK-IYJPBCIQSA-N. The full InChI is InChI=1S/C15H14BrNO3.ClH/c16-14-11-4-2-1-3-9(11)5-6-13(14)20-10-7-12(15(18)19)17-8-10;/h1-6,10,12,17H,7-8H2,(H,18,19);1H/t10-,12+;/m1./s1.
What are the key properties of (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 372.65 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 68588737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).