methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate

C14H19NO3 — CID 20697346

IUPACmethyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OCc2ccccc2)CN1C
InChIInChI=1S/C14H19NO3/c1-15-9-12(8-13(15)14(16)17-2)18-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyVRNXFGLWSMQFBO-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.45
Rot. Bonds4

About methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate

methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate (PubChem CID 20697346) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate
PubChem CID20697346
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(OCc2ccccc2)CN1C
InChIInChI=1S/C14H19NO3/c1-15-9-12(8-13(15)14(16)17-2)18-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3
InChIKeyVRNXFGLWSMQFBO-UHFFFAOYSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate (CID 20697346) is methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate is COC(=O)C1CC(OCc2ccccc2)CN1C.
What is the InChIKey of methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate?
The InChIKey is VRNXFGLWSMQFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-15-9-12(8-13(15)14(16)17-2)18-10-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3.
What are the key properties of methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate?
methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-phenylmethoxypyrrolidine-2-carboxylate is sourced from PubChem (CID 20697346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).