4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid

C15H14N2O4 — CID 43356945

IUPAC4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H14N2O4/c18-10-7-12(15(20)21)17(8-10)14(19)11-5-1-3-9-4-2-6-16-13(9)11/h1-6,10,12,18H,7-8H2,(H,20,21)
InChIKeyPYZDGQATZDETEY-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.89
Rot. Bonds2

About 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43356945) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43356945
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1C(=O)c1cccc2cccnc12
InChIInChI=1S/C15H14N2O4/c18-10-7-12(15(20)21)17(8-10)14(19)11-5-1-3-9-4-2-6-16-13(9)11/h1-6,10,12,18H,7-8H2,(H,20,21)
InChIKeyPYZDGQATZDETEY-UHFFFAOYSA-N
XLogP0.89
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
(2S,4R)-4-hydroxy-1-(2-methylsulfanylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 63856027
1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113447652
(2S,4S)-1-(3-aminopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104742427
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2S,4R)-4-hydroxy-1-[2-(trifluoromethyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 63856754
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
1-(3-chloro-2-methylbenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 107095823
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81445364
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid (CID 43356945) is 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1C(=O)c1cccc2cccnc12.
What is the InChIKey of 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PYZDGQATZDETEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-10-7-12(15(20)21)17(8-10)14(19)11-5-1-3-9-4-2-6-16-13(9)11/h1-6,10,12,18H,7-8H2,(H,20,21).
What are the key properties of 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43356945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).