(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C16H18N2O3 — CID 122563198

IUPAC(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc2ccc(CN3CCC[C@H]3C(=O)O)nc12
InChIInChI=1S/C16H18N2O3/c1-21-14-6-2-4-11-7-8-12(17-15(11)14)10-18-9-3-5-13(18)16(19)20/h2,4,6-8,13H,3,5,9-10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyQNAJTOWLURKINP-ZDUSSCGKSA-N
MW286.33 g/mol
LogP2.29
Rot. Bonds4

About (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid

(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 122563198) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID122563198
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESCOc1cccc2ccc(CN3CCC[C@H]3C(=O)O)nc12
InChIInChI=1S/C16H18N2O3/c1-21-14-6-2-4-11-7-8-12(17-15(11)14)10-18-9-3-5-13(18)16(19)20/h2,4,6-8,13H,3,5,9-10H2,1H3,(H,19,20)/t13-/m0/s1
InChIKeyQNAJTOWLURKINP-ZDUSSCGKSA-N
XLogP2.29
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
CID 50964999
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 74246375
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[2-(2-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441726
1-[(4-methoxynaphthalen-2-yl)methyl]piperidine-2-carboxylic acid
CID 122040364
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
1-[(2-methoxy-4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 122036642
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 5175119
1-[3-(2-methoxyphenoxy)propyl]piperidine-2-carboxylic acid
CID 82224104
1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998097
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 122563198) is (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid is COc1cccc2ccc(CN3CCC[C@H]3C(=O)O)nc12.
What is the InChIKey of (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QNAJTOWLURKINP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-21-14-6-2-4-11-7-8-12(17-15(11)14)10-18-9-3-5-13(18)16(19)20/h2,4,6-8,13H,3,5,9-10H2,1H3,(H,19,20)/t13-/m0/s1.
What are the key properties of (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 286.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122563198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).