methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate

C13H14N2O4 — CID 10753928

IUPACmethyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N2O4/c1-19-12(17)10-7-8-11(16)15(10)13(18)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)
InChIKeyYERVZFRXNCJFOM-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.38
Rot. Bonds2

About methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate

methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate (PubChem CID 10753928) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate
PubChem CID10753928
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Namemethyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(=O)N1C(=O)Nc1ccccc1
InChIInChI=1S/C13H14N2O4/c1-19-12(17)10-7-8-11(16)15(10)13(18)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)
InChIKeyYERVZFRXNCJFOM-UHFFFAOYSA-N
XLogP1.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate (CID 10753928) is methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCC(=O)N1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
The InChIKey is YERVZFRXNCJFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-19-12(17)10-7-8-11(16)15(10)13(18)14-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18).
What are the key properties of methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate?
methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate has a molecular weight of 262.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-1-(phenylcarbamoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 10753928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).