1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid

C15H16N2O2 — CID 82570875

IUPAC1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2ccnc(N3CCCC3C(=O)O)c2c1
InChIInChI=1S/C15H16N2O2/c1-10-4-5-11-6-7-16-14(12(11)9-10)17-8-2-3-13(17)15(18)19/h4-7,9,13H,2-3,8H2,1H3,(H,18,19)
InChIKeyWXFSTEHMESACSK-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.60
Rot. Bonds2

About 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid

1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 82570875) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID82570875
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2ccnc(N3CCCC3C(=O)O)c2c1
InChIInChI=1S/C15H16N2O2/c1-10-4-5-11-6-7-16-14(12(11)9-10)17-8-2-3-13(17)15(18)19/h4-7,9,13H,2-3,8H2,1H3,(H,18,19)
InChIKeyWXFSTEHMESACSK-UHFFFAOYSA-N
XLogP2.60
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
1-[1-(7-methoxyisoquinolin-1-yl)piperidin-2-yl]ethanone
CID 106536762
(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 120965080
(2S)-1-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 131562941
1-isoquinolin-1-yl-3-methylpiperidine-2-carboxylic acid
CID 107070279
1-(3-carbamoylpyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 62684493
1-(3-hydroxy-2-pyridinyl)piperidine-2-carboxylic acid
CID 71649558
(2S)-1-(5-methyl-2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
CID 175762753
1-(1,4-diazepan-1-yl)-7-methylisoquinoline
CID 82570872
1-(3-bromo-2-methyl-4-pyridinyl)pyrrolidine-2-carboxylic acid
CID 154779506
1-(4-ethoxypyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 112635932

Frequently Asked Questions

What is the IUPAC name of 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid (CID 82570875) is 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid is Cc1ccc2ccnc(N3CCCC3C(=O)O)c2c1.
What is the InChIKey of 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WXFSTEHMESACSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10-4-5-11-6-7-16-14(12(11)9-10)17-8-2-3-13(17)15(18)19/h4-7,9,13H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid?
1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 256.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methylisoquinolin-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82570875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).