1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride

C14H21ClN2O2 — CID 71298904

IUPAC1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN1CCCC1(CCCc1ccccn1)C(=O)O.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16-11-5-9-14(16,13(17)18)8-4-7-12-6-2-3-10-15-12;/h2-3,6,10H,4-5,7-9,11H2,1H3,(H,17,18);1H
InChIKeyLRVWBHAEWKHSJK-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.38
Rot. Bonds5

About 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride

1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 71298904) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID71298904
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCN1CCCC1(CCCc1ccccn1)C(=O)O.Cl
InChIInChI=1S/C14H20N2O2.ClH/c1-16-11-5-9-14(16,13(17)18)8-4-7-12-6-2-3-10-15-12;/h2-3,6,10H,4-5,7-9,11H2,1H3,(H,17,18);1H
InChIKeyLRVWBHAEWKHSJK-UHFFFAOYSA-N
XLogP2.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
N,N-dimethyl-4-(3-pyridin-2-ylpropyl)piperidine-4-carboxamide;dihydrochloride
CID 71298562
(3R)-1-(2-hydroxyethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 124946791
4-ethyl-1-(2-pyridin-2-ylethyl)piperidine-4-carboxylic acid
CID 55179316
1-(pyridin-2-ylmethyl)-3-(3-pyridin-2-ylpropyl)piperidine-3-carboxamide
CID 110090181
2-benzyl-1-methylpiperidine-2-carboxylic acid
CID 84796305
(2S)-1-acetyl-2-(3-pyrazin-2-ylpropyl)azetidine-2-carboxylic acid
CID 95804911
3-methyl-1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylic acid
CID 63135869
1-[1-(2-pyridin-2-ylethyl)cyclopropyl]ethanone
CID 106796916
(2R)-2-(3-pyridin-2-ylpropyl)azetidine-2-carboxamide
CID 95804889
4-methyl-1-(2-pyridin-2-ylethyl)piperidin-4-ol
CID 80702351
1-(2-pyridin-2-ylethylamino)cyclobutane-1-carboxylic acid
CID 81166918

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 71298904) is 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride is CN1CCCC1(CCCc1ccccn1)C(=O)O.Cl.
What is the InChIKey of 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is LRVWBHAEWKHSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2.ClH/c1-16-11-5-9-14(16,13(17)18)8-4-7-12-6-2-3-10-15-12;/h2-3,6,10H,4-5,7-9,11H2,1H3,(H,17,18);1H.
What are the key properties of 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride?
1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 284.79 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-pyridin-2-ylpropyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 71298904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).