(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride

C10H14Cl2N2O2 — CID 154577259

IUPAC(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H]1CC[C@H](c2ccccn2)N1
InChIInChI=1S/C10H12N2O2.2ClH/c13-10(14)9-5-4-8(12-9)7-3-1-2-6-11-7;;/h1-3,6,8-9,12H,4-5H2,(H,13,14);2*1H/t8-,9+;;/m1../s1
InChIKeyAXAQVQBJFWRXHE-BPRGXCPLSA-N
MW265.14 g/mol
LogP1.80
Rot. Bonds2

About (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride

(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride (PubChem CID 154577259) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
PubChem CID154577259
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H]1CC[C@H](c2ccccn2)N1
InChIInChI=1S/C10H12N2O2.2ClH/c13-10(14)9-5-4-8(12-9)7-3-1-2-6-11-7;;/h1-3,6,8-9,12H,4-5H2,(H,13,14);2*1H/t8-,9+;;/m1../s1
InChIKeyAXAQVQBJFWRXHE-BPRGXCPLSA-N
XLogP1.80
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride (CID 154577259) is (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)[C@@H]1CC[C@H](c2ccccn2)N1.
What is the InChIKey of (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
The InChIKey is AXAQVQBJFWRXHE-BPRGXCPLSA-N. The full InChI is InChI=1S/C10H12N2O2.2ClH/c13-10(14)9-5-4-8(12-9)7-3-1-2-6-11-7;;/h1-3,6,8-9,12H,4-5H2,(H,13,14);2*1H/t8-,9+;;/m1../s1.
What are the key properties of (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride has a molecular weight of 265.14 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 154577259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).