(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride

C11H16Cl2N2O2 — CID 89235530

IUPAC(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@H]1NCCC1Cc1ccccn1
InChIInChI=1S/C11H14N2O2.2ClH/c14-11(15)10-8(4-6-13-10)7-9-3-1-2-5-12-9;;/h1-3,5,8,10,13H,4,6-7H2,(H,14,15);2*1H/t8?,10-;;/m0../s1
InChIKeyORAHXRHKJMHWQL-ZHLJYLQZSA-N
MW279.17 g/mol
LogP1.53
Rot. Bonds3

About (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride

(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride (PubChem CID 89235530) has the molecular formula C11H16Cl2N2O2 and a molecular weight of 279.17 g/mol. Its IUPAC name is (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
PubChem CID89235530
Molecular FormulaC11H16Cl2N2O2
Molecular Weight279.17 g/mol
Exact Mass278.06
IUPAC Name(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@H]1NCCC1Cc1ccccn1
InChIInChI=1S/C11H14N2O2.2ClH/c14-11(15)10-8(4-6-13-10)7-9-3-1-2-5-12-9;;/h1-3,5,8,10,13H,4,6-7H2,(H,14,15);2*1H/t8?,10-;;/m0../s1
InChIKeyORAHXRHKJMHWQL-ZHLJYLQZSA-N
XLogP1.53
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-(pyridin-2-yldisulfanyl)pyrrolidine-2-carboxylic acid
CID 87998670
2-(pyrrolidin-3-ylmethyl)pyridine;hydrochloride
CID 86262770
4-phenyl-2-(pyridin-2-ylmethyl)cyclohexan-1-ol
CID 79421992
cis-(1R,2S)-2-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 96630031
3-(pyridin-2-ylmethyl)piperazin-2-one
CID 55253321
(2S,3R)-3-phenoxypyrrolidine-2-carboxylic acid
CID 54473999
2-(2-bicyclo[2.2.1]hept-5-enylmethyl)pyridine
CID 18541294
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 54775405
4-(3-pyridin-2-ylpropyl)cyclohexane-1-carboxylic acid
CID 69023524
4-[methyl(pyridin-2-ylmethyl)amino]cyclohexane-1-carboxylic acid
CID 115149112
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
[(2R,4S)-4-phenylpyrrolidin-2-yl]-[3-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 167516113

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride (CID 89235530) is (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)[C@H]1NCCC1Cc1ccccn1.
What is the InChIKey of (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride?
The InChIKey is ORAHXRHKJMHWQL-ZHLJYLQZSA-N. The full InChI is InChI=1S/C11H14N2O2.2ClH/c14-11(15)10-8(4-6-13-10)7-9-3-1-2-5-12-9;;/h1-3,5,8,10,13H,4,6-7H2,(H,14,15);2*1H/t8?,10-;;/m0../s1.
What are the key properties of (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride?
(2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride has a molecular weight of 279.17 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 89235530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).