[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate

C18H19N3O3 — CID 97009254

IUPAC[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate
SMILESCc1nccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)n1
InChIInChI=1S/C18H19N3O3/c1-13-19-10-9-15(20-13)18(23)24-16(14-7-3-2-4-8-14)17(22)21-11-5-6-12-21/h2-4,7-10,16H,5-6,11-12H2,1H3/t16-/m1/s1
InChIKeyLMSVBEVOTQULSM-MRXNPFEDSA-N
MW325.37 g/mol
LogP2.31
Rot. Bonds4

About [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate (PubChem CID 97009254) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate
PubChem CID97009254
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate
SMILESCc1nccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)n1
InChIInChI=1S/C18H19N3O3/c1-13-19-10-9-15(20-13)18(23)24-16(14-7-3-2-4-8-14)17(22)21-11-5-6-12-21/h2-4,7-10,16H,5-6,11-12H2,1H3/t16-/m1/s1
InChIKeyLMSVBEVOTQULSM-MRXNPFEDSA-N
XLogP2.31
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate?
The IUPAC name of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate (CID 97009254) is [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate.
What is the SMILES notation for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate?
The canonical SMILES for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate is Cc1nccc(C(=O)O[C@@H](C(=O)N2CCCC2)c2ccccc2)n1.
What is the InChIKey of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate?
The InChIKey is LMSVBEVOTQULSM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-13-19-10-9-15(20-13)18(23)24-16(14-7-3-2-4-8-14)17(22)21-11-5-6-12-21/h2-4,7-10,16H,5-6,11-12H2,1H3/t16-/m1/s1.
What are the key properties of [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate?
[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate has a molecular weight of 325.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] 2-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 97009254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).