(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

C18H18N2O4 — CID 167871127

IUPAC(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)Nc2cncc(-c3ccccc3)c2)O[C@H]1C(=O)O
InChIInChI=1S/C18H18N2O4/c1-11-7-15(24-16(11)18(22)23)17(21)20-14-8-13(9-19-10-14)12-5-3-2-4-6-12/h2-6,8-11,15-16H,7H2,1H3,(H,20,21)(H,22,23)/t11-,15-,16-/m1/s1
InChIKeyBUWYYSGSQDFGDH-HFBAOOFYSA-N
MW326.35 g/mol
LogP2.57
Rot. Bonds4

About (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid

(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (PubChem CID 167871127) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
PubChem CID167871127
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)Nc2cncc(-c3ccccc3)c2)O[C@H]1C(=O)O
InChIInChI=1S/C18H18N2O4/c1-11-7-15(24-16(11)18(22)23)17(21)20-14-8-13(9-19-10-14)12-5-3-2-4-6-12/h2-6,8-11,15-16H,7H2,1H3,(H,20,21)(H,22,23)/t11-,15-,16-/m1/s1
InChIKeyBUWYYSGSQDFGDH-HFBAOOFYSA-N
XLogP2.57
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid (CID 167871127) is (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is C[C@@H]1C[C@H](C(=O)Nc2cncc(-c3ccccc3)c2)O[C@H]1C(=O)O.
What is the InChIKey of (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is BUWYYSGSQDFGDH-HFBAOOFYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11-7-15(24-16(11)18(22)23)17(21)20-14-8-13(9-19-10-14)12-5-3-2-4-6-12/h2-6,8-11,15-16H,7H2,1H3,(H,20,21)(H,22,23)/t11-,15-,16-/m1/s1.
What are the key properties of (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid?
(2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 326.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5R)-3-methyl-5-[(5-phenyl-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 167871127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).