(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid

C26H23NO2 — CID 18650363

IUPAC(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
SMILESC[C@@H]1C=CCN(c2cccc3c2C(c2ccccc2)c2ccccc2-3)[C@H]1C(=O)O
InChIInChI=1S/C26H23NO2/c1-17-9-8-16-27(25(17)26(28)29)22-15-7-14-21-19-12-5-6-13-20(19)23(24(21)22)18-10-3-2-4-11-18/h2-15,17,23,25H,16H2,1H3,(H,28,29)/t17-,23?,25-/m1/s1
InChIKeyAOXZKWONLFLFKX-RRGDWTORSA-N
MW381.48 g/mol
LogP5.31
Rot. Bonds3

About (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid

(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid (PubChem CID 18650363) has the molecular formula C26H23NO2 and a molecular weight of 381.48 g/mol. Its IUPAC name is (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
PubChem CID18650363
Molecular FormulaC26H23NO2
Molecular Weight381.48 g/mol
Exact Mass381.17
IUPAC Name(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid
SMILESC[C@@H]1C=CCN(c2cccc3c2C(c2ccccc2)c2ccccc2-3)[C@H]1C(=O)O
InChIInChI=1S/C26H23NO2/c1-17-9-8-16-27(25(17)26(28)29)22-15-7-14-21-19-12-5-6-13-20(19)23(24(21)22)18-10-3-2-4-11-18/h2-15,17,23,25H,16H2,1H3,(H,28,29)/t17-,23?,25-/m1/s1
InChIKeyAOXZKWONLFLFKX-RRGDWTORSA-N
XLogP5.31
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The IUPAC name of (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid (CID 18650363) is (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid.
What is the SMILES notation for (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The canonical SMILES for (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid is C[C@@H]1C=CCN(c2cccc3c2C(c2ccccc2)c2ccccc2-3)[C@H]1C(=O)O.
What is the InChIKey of (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
The InChIKey is AOXZKWONLFLFKX-RRGDWTORSA-N. The full InChI is InChI=1S/C26H23NO2/c1-17-9-8-16-27(25(17)26(28)29)22-15-7-14-21-19-12-5-6-13-20(19)23(24(21)22)18-10-3-2-4-11-18/h2-15,17,23,25H,16H2,1H3,(H,28,29)/t17-,23?,25-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid?
(2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid has a molecular weight of 381.48 g/mol, XLogP of 5.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-1-(9-phenyl-9H-fluoren-1-yl)-3,6-dihydro-2H-pyridine-2-carboxylic acid is sourced from PubChem (CID 18650363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).