methyl 5-phenylpyrrolidine-2-carboxylate

C12H15NO2 — CID 67257959

IUPACmethyl 5-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(c2ccccc2)N1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKeyPLTYXWQEMLQCPO-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.65
Rot. Bonds2

About methyl 5-phenylpyrrolidine-2-carboxylate

methyl 5-phenylpyrrolidine-2-carboxylate (PubChem CID 67257959) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 5-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-phenylpyrrolidine-2-carboxylate
PubChem CID67257959
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 5-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCC(c2ccccc2)N1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKeyPLTYXWQEMLQCPO-UHFFFAOYSA-N
XLogP1.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-5-phenylpyrrolidine-2-carboxylate
CID 15837692
methyl (2S,5R)-5-(3-chlorophenyl)pyrrolidine-2-carboxylate
CID 67256593
methyl (2R,5S)-5-(3-bromophenyl)pyrrolidine-2-carboxylate
CID 166640242
methyl (2S,5R)-5-(3-phenylmethoxyphenyl)pyrrolidine-2-carboxylate
CID 59468954
methyl 5-(4-nitrophenyl)pyrrolidine-2-carboxylate
CID 138376934
(2S,5R)-5-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 70544231
(2S,5R)-N-methyl-5-phenylpyrrolidine-2-carboxamide;hydrochloride
CID 146049803
methyl 4-phenylimidazolidine-2-carboxylate
CID 121274928
tert-butyl (2S,6R)-6-phenylpiperidine-2-carboxylate
CID 10659095
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518
methyl 6-(3-fluorophenyl)piperidine-2-carboxylate
CID 117168179
(2R,5S)-5-(4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 67874510

Frequently Asked Questions

What is the IUPAC name of methyl 5-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 5-phenylpyrrolidine-2-carboxylate (CID 67257959) is methyl 5-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 5-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 5-phenylpyrrolidine-2-carboxylate is COC(=O)C1CCC(c2ccccc2)N1.
What is the InChIKey of methyl 5-phenylpyrrolidine-2-carboxylate?
The InChIKey is PLTYXWQEMLQCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)11-8-7-10(13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3.
What are the key properties of methyl 5-phenylpyrrolidine-2-carboxylate?
methyl 5-phenylpyrrolidine-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 67257959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).