[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate

C18H18N2O3 — CID 9412619

IUPAC[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccn1
InChIInChI=1S/C18H18N2O3/c21-17(20-12-6-7-13-20)16(14-8-2-1-3-9-14)23-18(22)15-10-4-5-11-19-15/h1-5,8-11,16H,6-7,12-13H2/t16-/m0/s1
InChIKeyZEXFBKQLMUSCPE-INIZCTEOSA-N
MW310.35 g/mol
LogP2.60
Rot. Bonds4

About [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate

[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate (PubChem CID 9412619) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
PubChem CID9412619
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate
SMILESO=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccn1
InChIInChI=1S/C18H18N2O3/c21-17(20-12-6-7-13-20)16(14-8-2-1-3-9-14)23-18(22)15-10-4-5-11-19-15/h1-5,8-11,16H,6-7,12-13H2/t16-/m0/s1
InChIKeyZEXFBKQLMUSCPE-INIZCTEOSA-N
XLogP2.60
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) isoquinoline-1-carboxylate
CID 56799706
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[(1R)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 4-aminobenzoate
CID 7602095
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-chloro-1H-pyrrole-2-carboxylate
CID 97014651
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylfuran-3-carboxylate
CID 8515014
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 4-sulfamoylbenzoate
CID 27722541
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 3-chlorobenzoate
CID 7697298
[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl] 2,5-dichlorobenzoate
CID 7699428
2-phenyl-2-pyridin-2-yl-1-pyrrolidin-1-ylethanone
CID 110373332
(2-oxo-1-phenyl-2-piperidin-1-ylethyl) 4-oxo-3H-phthalazine-1-carboxylate
CID 42883995
(2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl) 4-pyrrolidin-1-ylsulfonylbenzoate
CID 55390054

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate?
The IUPAC name of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate (CID 9412619) is [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate is O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)c1ccccn1.
What is the InChIKey of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate?
The InChIKey is ZEXFBKQLMUSCPE-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N2O3/c21-17(20-12-6-7-13-20)16(14-8-2-1-3-9-14)23-18(22)15-10-4-5-11-19-15/h1-5,8-11,16H,6-7,12-13H2/t16-/m0/s1.
What are the key properties of [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate?
[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] pyridine-2-carboxylate is sourced from PubChem (CID 9412619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).