(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid

C17H20N2O4 — CID 50964999

IUPAC(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc2ccc(CN3CC[C@H](O)C[C@@H]3C(=O)O)nc12
InChIInChI=1S/C17H20N2O4/c1-23-15-4-2-3-11-5-6-12(18-16(11)15)10-19-8-7-13(20)9-14(19)17(21)22/h2-6,13-14,20H,7-10H2,1H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyDOMTWOJUWXFMMV-UONOGXRCSA-N
MW316.36 g/mol
LogP1.65
Rot. Bonds4

About (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid

(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid (PubChem CID 50964999) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
PubChem CID50964999
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid
SMILESCOc1cccc2ccc(CN3CC[C@H](O)C[C@@H]3C(=O)O)nc12
InChIInChI=1S/C17H20N2O4/c1-23-15-4-2-3-11-5-6-12(18-16(11)15)10-19-8-7-13(20)9-14(19)17(21)22/h2-6,13-14,20H,7-10H2,1H3,(H,21,22)/t13-,14+/m0/s1
InChIKeyDOMTWOJUWXFMMV-UONOGXRCSA-N
XLogP1.65
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[(8-methoxyquinolin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 122563198
(2R,4S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50970711
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
8-methoxy-2-[[2-(5-methyl-1H-1,2,4-triazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
CID 74246375
9-[(8-methoxyquinolin-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72852084
(4-benzylpiperazin-1-yl)-[6-[(8-methoxyquinolin-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]methanone
CID 45165567
5-[4-[(8-methoxyquinolin-2-yl)methyl]piperazin-1-yl]-2-methylpyridazin-3-one
CID 77096181
2-[(2S)-4-[(8-methoxyquinolin-2-yl)methyl]-1-(2-phenylethyl)piperazin-2-yl]ethanol
CID 51635293
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
(2R,4S)-1-[(3,5-dichloro-4-pyridinyl)methyl]-4-hydroxypiperidine-2-carboxylic acid
CID 50981156
2-[(2S)-1-cyclopentyl-4-[(8-methoxyquinolin-2-yl)methyl]piperazin-2-yl]ethanol
CID 28733081
(2R)-4-[(8-hydroxyquinolin-2-yl)methyl]-1-methylpiperazine-2-carboxylic acid
CID 95221775

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid (CID 50964999) is (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid is COc1cccc2ccc(CN3CC[C@H](O)C[C@@H]3C(=O)O)nc12.
What is the InChIKey of (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid?
The InChIKey is DOMTWOJUWXFMMV-UONOGXRCSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-23-15-4-2-3-11-5-6-12(18-16(11)15)10-19-8-7-13(20)9-14(19)17(21)22/h2-6,13-14,20H,7-10H2,1H3,(H,21,22)/t13-,14+/m0/s1.
What are the key properties of (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid?
(2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-hydroxy-1-[(8-methoxyquinolin-2-yl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 50964999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).