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

C16H23NO2 — CID 123702124

IUPACmethyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
SMILESCCC1CCN(C(C)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C16H23NO2/c1-4-13-10-11-17(15(13)16(18)19-3)12(2)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyKIFJVMQAJIVION-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.02
Rot. Bonds4

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

methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate (PubChem CID 123702124) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
PubChem CID123702124
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Namemethyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
SMILESCCC1CCN(C(C)c2ccccc2)C1C(=O)OC
InChIInChI=1S/C16H23NO2/c1-4-13-10-11-17(15(13)16(18)19-3)12(2)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3
InChIKeyKIFJVMQAJIVION-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(methoxymethyl)-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 76664588
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
ethyl (2S,3R)-3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 175772723
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
benzyl 3-methyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 77462570
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate
CID 123693997
[(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

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate (CID 123702124) is methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate is CCC1CCN(C(C)c2ccccc2)C1C(=O)OC.
What is the InChIKey of methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
The InChIKey is KIFJVMQAJIVION-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-13-10-11-17(15(13)16(18)19-3)12(2)14-8-6-5-7-9-14/h5-9,12-13,15H,4,10-11H2,1-3H3.
What are the key properties of methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate?
methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate has a molecular weight of 261.37 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 123702124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).