(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H12N2O5 — CID 81445364

IUPAC(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1ccncc1O
InChIInChI=1S/C11H12N2O5/c14-6-3-8(11(17)18)13(5-6)10(16)7-1-2-12-4-9(7)15/h1-2,4,6,8,14-15H,3,5H2,(H,17,18)/t6?,8-/m0/s1
InChIKeyHFIYQGQIXPBHTH-XDKWHASVSA-N
MW252.23 g/mol
LogP-0.55
Rot. Bonds2

About (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 81445364) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID81445364
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC Name(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)CN1C(=O)c1ccncc1O
InChIInChI=1S/C11H12N2O5/c14-6-3-8(11(17)18)13(5-6)10(16)7-1-2-12-4-9(7)15/h1-2,4,6,8,14-15H,3,5H2,(H,17,18)/t6?,8-/m0/s1
InChIKeyHFIYQGQIXPBHTH-XDKWHASVSA-N
XLogP-0.55
TPSA110.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
1-(4-chloro-2-hydroxybenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 24709404
(2R,4R)-1-(2,6-dichloropyridine-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114036820
(2S)-1-(2-bromobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 61151791
(2S,4S)-4-hydroxy-1-(2-hydroxy-5-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 64713874
4-hydroxy-1-(quinoline-8-carbonyl)pyrrolidine-2-carboxylic acid
CID 43356945
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
(2S,4R)-4-hydroxy-1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778308
(2S,4R)-1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63856209
1-(4-bromo-2-chlorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43805416
1-(2-chloro-4-fluorobenzoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 16774023
4-hydroxy-1-(pyrazolo[1,5-a]pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116405

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 81445364) is (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)CN1C(=O)c1ccncc1O.
What is the InChIKey of (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is HFIYQGQIXPBHTH-XDKWHASVSA-N. The full InChI is InChI=1S/C11H12N2O5/c14-6-3-8(11(17)18)13(5-6)10(16)7-1-2-12-4-9(7)15/h1-2,4,6,8,14-15H,3,5H2,(H,17,18)/t6?,8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 252.23 g/mol, XLogP of -0.55, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81445364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).