1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid

C11H12N2O4 — CID 19790874

IUPAC1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ncccc1O
InChIInChI=1S/C11H12N2O4/c14-8-4-1-5-12-9(8)10(15)13-6-2-3-7(13)11(16)17/h1,4-5,7,14H,2-3,6H2,(H,16,17)
InChIKeyMRKZOJZKWCHBBA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.48
Rot. Bonds2

About 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid

1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 19790874) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID19790874
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1ncccc1O
InChIInChI=1S/C11H12N2O4/c14-8-4-1-5-12-9(8)10(15)13-6-2-3-7(13)11(16)17/h1,4-5,7,14H,2-3,6H2,(H,16,17)
InChIKeyMRKZOJZKWCHBBA-UHFFFAOYSA-N
XLogP0.48
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 62339102
(2R,3R)-1-(3-hydroxypyridine-2-carbonyl)-2-methylpiperidine-3-carboxylic acid
CID 122116626
1-(3-methylpyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64560694
(2R)-1-(3-aminopyrazine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371307
(2S)-1-(2-chloropyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 97169127
(2R)-1-(3-aminopyrazine-2-carbonyl)piperidine-2-carboxylic acid
CID 154745570
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
1-(pyridine-2-carbonyl)azepane-2-carboxylic acid
CID 64559743
1-(3-bromopyridine-2-carbonyl)piperidine-2-carboxamide
CID 107518190
1-(3-hydroxypyridine-2-carbonyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 60924383
(3-hydroxypiperidin-1-yl)-(3-hydroxy-2-pyridinyl)methanone
CID 60923940

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 19790874) is 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1ncccc1O.
What is the InChIKey of 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MRKZOJZKWCHBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-8-4-1-5-12-9(8)10(15)13-6-2-3-7(13)11(16)17/h1,4-5,7,14H,2-3,6H2,(H,16,17).
What are the key properties of 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid?
1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyridine-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 19790874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).