(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid

C16H18N2O2 — CID 120965080

IUPAC(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2c(C)cc(N3CCC[C@@H]3C(=O)O)nc2c1
InChIInChI=1S/C16H18N2O2/c1-10-5-6-12-11(2)9-15(17-13(12)8-10)18-7-3-4-14(18)16(19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySYJOTBQWMVYAFA-CQSZACIVSA-N
MW270.33 g/mol
LogP2.91
Rot. Bonds2

About (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 120965080) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID120965080
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1ccc2c(C)cc(N3CCC[C@@H]3C(=O)O)nc2c1
InChIInChI=1S/C16H18N2O2/c1-10-5-6-12-11(2)9-15(17-13(12)8-10)18-7-3-4-14(18)16(19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,19,20)/t14-/m1/s1
InChIKeySYJOTBQWMVYAFA-CQSZACIVSA-N
XLogP2.91
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid (CID 120965080) is (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid is Cc1ccc2c(C)cc(N3CCC[C@@H]3C(=O)O)nc2c1.
What is the InChIKey of (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is SYJOTBQWMVYAFA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-10-5-6-12-11(2)9-15(17-13(12)8-10)18-7-3-4-14(18)16(19)20/h5-6,8-9,14H,3-4,7H2,1-2H3,(H,19,20)/t14-/m1/s1.
What are the key properties of (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 120965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).