methyl 3-phenylpyrrolidine-2-carboxylate

C12H15NO2 — CID 18663579

IUPACmethyl 3-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1NCCC1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-10(7-8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKeyRSBPLPJKAAQLFC-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.31
Rot. Bonds2

About methyl 3-phenylpyrrolidine-2-carboxylate

methyl 3-phenylpyrrolidine-2-carboxylate (PubChem CID 18663579) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is methyl 3-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-phenylpyrrolidine-2-carboxylate
PubChem CID18663579
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Namemethyl 3-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1NCCC1c1ccccc1
InChIInChI=1S/C12H15NO2/c1-15-12(14)11-10(7-8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3
InChIKeyRSBPLPJKAAQLFC-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67353931
(2R,3R)-3-phenylpyrrolidine-2-carboxylic acid;hydrochloride
CID 131632798
methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 7200386
2-methyl-1-[(2S,3R)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59054861
2-methyl-1-[(2S,3S)-3-phenylpyrrolidin-2-yl]propan-1-one
CID 59969688
methyl 4-[[(2S,3S)-3-phenylpyrrolidine-2-carbonyl]amino]benzoate
CID 118100771
methyl [(2R,3R)-3-phenylpyrrolidin-2-yl] carbonate
CID 173061877
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
methyl 4-phenylpyrazolidine-3-carboxylate
CID 73198673
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
(2S,3S)-3-(3-methylphenyl)pyrrolidine-2-carboxylic acid
CID 124509776

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 3-phenylpyrrolidine-2-carboxylate (CID 18663579) is methyl 3-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 3-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 3-phenylpyrrolidine-2-carboxylate is COC(=O)C1NCCC1c1ccccc1.
What is the InChIKey of methyl 3-phenylpyrrolidine-2-carboxylate?
The InChIKey is RSBPLPJKAAQLFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-15-12(14)11-10(7-8-13-11)9-5-3-2-4-6-9/h2-6,10-11,13H,7-8H2,1H3.
What are the key properties of methyl 3-phenylpyrrolidine-2-carboxylate?
methyl 3-phenylpyrrolidine-2-carboxylate has a molecular weight of 205.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 18663579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).