methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate

C12H15NO3 — CID 141103843

IUPACmethyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-16-12(15)11-7-10(14)8-13(11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3
InChIKeyYGTYTBVTZSTFHU-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds2

About methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate

methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate (PubChem CID 141103843) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
PubChem CID141103843
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namemethyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(O)CN1c1ccccc1
InChIInChI=1S/C12H15NO3/c1-16-12(15)11-7-10(14)8-13(11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3
InChIKeyYGTYTBVTZSTFHU-UHFFFAOYSA-N
XLogP0.80
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-hydroxy-1-(2-nitrophenyl)pyrrolidine-2-carboxylate
CID 20651268
methyl (2S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylate
CID 150507441
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
methyl (2S)-1-(4-methoxyphenyl)aziridine-2-carboxylate
CID 102355680
methyl 4-hydroxy-1-(1-oxo-1-phenylpropan-2-yl)pyrrolidine-2-carboxylate
CID 141060724
ethane;methyl 1-(2,2-diphenylacetyl)-4-hydroxypyrrolidine-2-carboxylate
CID 145121615
methyl 4-hydroxy-1-(2-methoxy-2-phenylacetyl)pyrrolidine-2-carboxylate
CID 115971364
methyl 4-hydroxy-1-(2-phenylethylsulfonyl)pyrrolidine-2-carboxylate
CID 115971421
(2S,4R)-4-methyl-1-phenylpyrrolidine-2-carboxylic acid
CID 134397150
methyl (2S,4S)-4-hydroxy-1-(3-phenylprop-2-enyl)pyrrolidine-2-carboxylate
CID 71969468
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate (CID 141103843) is methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate is COC(=O)C1CC(O)CN1c1ccccc1.
What is the InChIKey of methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate?
The InChIKey is YGTYTBVTZSTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-12(15)11-7-10(14)8-13(11)9-5-3-2-4-6-9/h2-6,10-11,14H,7-8H2,1H3.
What are the key properties of methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate?
methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate has a molecular weight of 221.26 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-1-phenylpyrrolidine-2-carboxylate is sourced from PubChem (CID 141103843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).