(2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid

C12H11N3O6 — CID 91437006

IUPAC(2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Oc2noc3cnccc23)CN1C(=O)O
InChIInChI=1S/C12H11N3O6/c16-11(17)8-3-6(5-15(8)12(18)19)20-10-7-1-2-13-4-9(7)21-14-10/h1-2,4,6,8H,3,5H2,(H,16,17)(H,18,19)/t6-,8+/m1/s1
InChIKeyCFVQVMBFSQIOQY-SVRRBLITSA-N
MW293.23 g/mol
LogP0.81
Rot. Bonds3

About (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid

(2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 91437006) has the molecular formula C12H11N3O6 and a molecular weight of 293.23 g/mol. Its IUPAC name is (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid
PubChem CID91437006
Molecular FormulaC12H11N3O6
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name(2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H](Oc2noc3cnccc23)CN1C(=O)O
InChIInChI=1S/C12H11N3O6/c16-11(17)8-3-6(5-15(8)12(18)19)20-10-7-1-2-13-4-9(7)21-14-10/h1-2,4,6,8H,3,5H2,(H,16,17)(H,18,19)/t6-,8+/m1/s1
InChIKeyCFVQVMBFSQIOQY-SVRRBLITSA-N
XLogP0.81
TPSA125.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-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

4-(5-hydroxyisoquinolin-1-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 22250154
4-(7-chloroisoquinolin-1-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 22250215
(2R,4R)-4-(7-methoxy-3-methylquinoxalin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 137368071
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yloxypyrrolidine-2-carboxylic acid
CID 24902608
4-methoxy-1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 43359751
(2S,4R)-4-(3-bromo-4-phenylmethoxyquinolin-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 146191345
(2S,4S)-1-methyl-4-phenoxypyrrolidine-2-carboxylic acid
CID 58778842
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyrimidin-4-yloxypyrrolidine-2-carboxylic acid
CID 24902616
(2S,4R)-4-(1-bromonaphthalen-2-yl)oxypyrrolidine-1,2-dicarboxylic acid
CID 118383737
4-methoxy-1-(pyridin-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61189078
tert-butyl (2S,4R)-2-acetyl-4-[(3-methyl-[1,2]oxazolo[5,4-c]pyridin-7-yl)oxy]pyrrolidine-1-carboxylate;7-chloro-3-methyl-[1,2]oxazolo[5,4-c]pyridine;(2S,4R)-4-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90926031
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenanthridin-6-yloxypyrrolidine-2-carboxylic acid
CID 67296724

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid (CID 91437006) is (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@@H]1C[C@@H](Oc2noc3cnccc23)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is CFVQVMBFSQIOQY-SVRRBLITSA-N. The full InChI is InChI=1S/C12H11N3O6/c16-11(17)8-3-6(5-15(8)12(18)19)20-10-7-1-2-13-4-9(7)21-14-10/h1-2,4,6,8H,3,5H2,(H,16,17)(H,18,19)/t6-,8+/m1/s1.
What are the key properties of (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid?
(2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 293.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-([1,2]oxazolo[5,4-c]pyridin-3-yloxy)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 91437006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).