methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate

C16H23NO3 — CID 76664588

IUPACmethyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
SMILESCOCC1CCN(C(C)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C16H23NO3/c1-12(13-7-5-4-6-8-13)17-10-9-14(11-19-2)15(17)16(18)20-3/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyJZUCJUDMEIBBFI-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.26
Rot. Bonds5

About methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate

methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate (PubChem CID 76664588) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
PubChem CID76664588
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
SMILESCOCC1CCN(C(C)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C16H23NO3/c1-12(13-7-5-4-6-8-13)17-10-9-14(11-19-2)15(17)16(18)20-3/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyJZUCJUDMEIBBFI-UHFFFAOYSA-N
XLogP2.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 123702124
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
(2S,3R)-3-(iodomethyl)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylic acid
CID 122513464
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
benzyl 3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 77462570
ethyl (2S,3R)-3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 175772723
[(2R,3S)-3-benzyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]methanol
CID 11254918
methyl (2S,3R)-3-[1-(benzenesulfonyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 102022282
(2R)-1-[(1R)-1-phenylethyl]azetidine-2-carboxylic acid
CID 21308199
methyl (1R,3R,4S)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 11149559
methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 11780161

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate (CID 76664588) is methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate is COCC1CCN(C(C)c2ccccc2)C1C(=O)OC.
What is the InChIKey of methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The InChIKey is JZUCJUDMEIBBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(13-7-5-4-6-8-13)17-10-9-14(11-19-2)15(17)16(18)20-3/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate has a molecular weight of 277.36 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 76664588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).