(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride

C10H14Cl2N2O2 — CID 154577262

IUPAC(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H]1CC[C@H](c2cccnc2)N1
InChIInChI=1S/C10H12N2O2.2ClH/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7;;/h1-2,5-6,8-9,12H,3-4H2,(H,13,14);2*1H/t8-,9+;;/m1../s1
InChIKeyCJHBMIXPKPLTLR-BPRGXCPLSA-N
MW265.14 g/mol
LogP1.80
Rot. Bonds2

About (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride

(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride (PubChem CID 154577262) has the molecular formula C10H14Cl2N2O2 and a molecular weight of 265.14 g/mol. Its IUPAC name is (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride.

Molecular Properties

Compound Name(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
PubChem CID154577262
Molecular FormulaC10H14Cl2N2O2
Molecular Weight265.14 g/mol
Exact Mass264.04
IUPAC Name(2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride
SMILESCl.Cl.O=C(O)[C@@H]1CC[C@H](c2cccnc2)N1
InChIInChI=1S/C10H12N2O2.2ClH/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7;;/h1-2,5-6,8-9,12H,3-4H2,(H,13,14);2*1H/t8-,9+;;/m1../s1
InChIKeyCJHBMIXPKPLTLR-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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Related Compounds

(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
(2S,5R)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid;dihydrochloride
CID 154577259
5-(4-aminophenyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 54605167
(2S)-5-pyridin-2-ylpyrrolidine-2-carboxylic acid
CID 12045110
4-pyridin-3-ylcyclohexane-1-carboxylic acid
CID 82282997
oxalic acid;3-pyrrolidin-2-ylpyridine
CID 45156454
(4R,6S)-4-pyridin-3-yl-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 6353402
5-(3-ethylphenyl)pyrrolidine-2-carboxylic acid
CID 112693420
5-(furan-3-yl)pyrrolidine-2-carboxylic acid
CID 55282588
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
The IUPAC name of (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride (CID 154577262) is (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride.
What is the SMILES notation for (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
The canonical SMILES for (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride is Cl.Cl.O=C(O)[C@@H]1CC[C@H](c2cccnc2)N1.
What is the InChIKey of (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
The InChIKey is CJHBMIXPKPLTLR-BPRGXCPLSA-N. The full InChI is InChI=1S/C10H12N2O2.2ClH/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7;;/h1-2,5-6,8-9,12H,3-4H2,(H,13,14);2*1H/t8-,9+;;/m1../s1.
What are the key properties of (2S,5R)-5-pyridin-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride?
(2S,5R)-5-pyridin-3-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-3-ylpyrrolidine-2-carboxylic acid;dihydrochloride is sourced from PubChem (CID 154577262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).