(2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid

C20H18N2O4 — CID 176647831

IUPAC(2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
SMILES[2H]C([2H])([2H])c1ccccc1-c1cc(=O)oc2nc(N3CCC[C@@H]3C(=O)O)ccc12
InChIInChI=1S/C20H18N2O4/c1-12-5-2-3-6-13(12)15-11-18(23)26-19-14(15)8-9-17(21-19)22-10-4-7-16(22)20(24)25/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,24,25)/t16-/m1/s1/i1D3
InChIKeyFCCSZNPSTWHVNL-JOTALGBPSA-N
MW353.39 g/mol
LogP3.22
Rot. Bonds4

About (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid

(2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid (PubChem CID 176647831) has the molecular formula C20H18N2O4 and a molecular weight of 353.39 g/mol. Its IUPAC name is (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
PubChem CID176647831
Molecular FormulaC20H18N2O4
Molecular Weight353.39 g/mol
Exact Mass353.15
IUPAC Name(2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
SMILES[2H]C([2H])([2H])c1ccccc1-c1cc(=O)oc2nc(N3CCC[C@@H]3C(=O)O)ccc12
InChIInChI=1S/C20H18N2O4/c1-12-5-2-3-6-13(12)15-11-18(23)26-19-14(15)8-9-17(21-19)22-10-4-7-16(22)20(24)25/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,24,25)/t16-/m1/s1/i1D3
InChIKeyFCCSZNPSTWHVNL-JOTALGBPSA-N
XLogP3.22
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid with MolForge

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Related Compounds

(2S)-1-[4-(2,6-dimethylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid
CID 168942177
ethane;methyl 1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]piperidine-2-carboxylate
CID 168942176
1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxamide
CID 168942286
3-amino-1-[4-(2-methylphenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]pyrrolidine-3-carboxylic acid
CID 170188617
(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 120965080
(2R)-1-(1,3-benzoxazol-2-yl)pyrrolidine-2-carboxylic acid
CID 93429227
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(4-carbamoylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 63885030
1-[4-(2-methylphenyl)phenyl]pyrrolidine-2-carboxylic acid
CID 142847935
(3S)-1-[2-[4-(2-chlorophenyl)-2-oxopyrano[2,3-b]pyridin-7-yl]oxypropanoyl]piperidine-3-carboxylic acid
CID 138490508
1-(6-methoxy-5-methoxycarbonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122058782
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid (CID 176647831) is (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid is [2H]C([2H])([2H])c1ccccc1-c1cc(=O)oc2nc(N3CCC[C@@H]3C(=O)O)ccc12.
What is the InChIKey of (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid?
The InChIKey is FCCSZNPSTWHVNL-JOTALGBPSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-5-2-3-6-13(12)15-11-18(23)26-19-14(15)8-9-17(21-19)22-10-4-7-16(22)20(24)25/h2-3,5-6,8-9,11,16H,4,7,10H2,1H3,(H,24,25)/t16-/m1/s1/i1D3.
What are the key properties of (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid?
(2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid has a molecular weight of 353.39 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-oxo-4-[2-(trideuteriomethyl)phenyl]pyrano[2,3-b]pyridin-7-yl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 176647831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).