(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid

C12H12N2O6 — CID 151367780

IUPAC(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1CC(C(O)c2ccccn2)C(=O)N1C(=O)O
InChIInChI=1S/C12H12N2O6/c15-9(7-3-1-2-4-13-7)6-5-8(11(17)18)14(10(6)16)12(19)20/h1-4,6,8-9,15H,5H2,(H,17,18)(H,19,20)/t6?,8-,9?/m0/s1
InChIKeyOPUFVRPKFRDTEE-XNGKIHLYSA-N
MW280.24 g/mol
LogP0.09
Rot. Bonds3

About (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid

(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid (PubChem CID 151367780) has the molecular formula C12H12N2O6 and a molecular weight of 280.24 g/mol. Its IUPAC name is (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
PubChem CID151367780
Molecular FormulaC12H12N2O6
Molecular Weight280.24 g/mol
Exact Mass280.07
IUPAC Name(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1CC(C(O)c2ccccn2)C(=O)N1C(=O)O
InChIInChI=1S/C12H12N2O6/c15-9(7-3-1-2-4-13-7)6-5-8(11(17)18)14(10(6)16)12(19)20/h1-4,6,8-9,15H,5H2,(H,17,18)(H,19,20)/t6?,8-,9?/m0/s1
InChIKeyOPUFVRPKFRDTEE-XNGKIHLYSA-N
XLogP0.09
TPSA128.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.24
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[hydroxy(pyridin-2-yl)methyl]cyclopentan-1-one
CID 86055982
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
CID 151065309
(2R)-1-(2-pyridin-2-ylsulfanylpropanoyl)pyrrolidine-2-carboxylic acid
CID 164643877
(R)-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-pyridin-2-ylmethanol
CID 39809044
1-(1,2-dipyridin-2-ylethyl)piperidine-2-carboxylic acid
CID 4286493
1-[(4-phenylphenyl)-pyridin-2-ylmethyl]piperidine-2-carboxylic acid
CID 4589544
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
2-methyl-1-(1-pyridin-2-ylethyl)pyrrolidine-3-carboxylic acid
CID 79383099
2,3-dihydropyrrolo[2,3-b]pyridine-1,2-dicarboxylic acid
CID 91038203
1-[pyridin-2-yl(thiophen-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 5033531
4-(1-pyridin-2-ylethylcarbamoyl)thiomorpholine-3-carboxylic acid
CID 82904549

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid (CID 151367780) is (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@@H]1CC(C(O)c2ccccn2)C(=O)N1C(=O)O.
What is the InChIKey of (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
The InChIKey is OPUFVRPKFRDTEE-XNGKIHLYSA-N. The full InChI is InChI=1S/C12H12N2O6/c15-9(7-3-1-2-4-13-7)6-5-8(11(17)18)14(10(6)16)12(19)20/h1-4,6,8-9,15H,5H2,(H,17,18)(H,19,20)/t6?,8-,9?/m0/s1.
What are the key properties of (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid?
(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid has a molecular weight of 280.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 151367780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).