methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate

C14H19NO3 — CID 123693997

IUPACmethyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyXXCPPABOFGFEHU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds3

About methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate

methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate (PubChem CID 123693997) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate
PubChem CID123693997
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(O)N(C(C)c2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12-13,16H,8-9H2,1-2H3
InChIKeyXXCPPABOFGFEHU-UHFFFAOYSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
dimethyl (2R,4S)-1-(1-phenylethyl)azetidine-2,4-dicarboxylate
CID 54060167
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
methyl (2S)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 11234448
ethyl (3R,4aS,8aS)-1-[(1R)-1-phenylethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-3-carboxylate
CID 42624703
methyl (2R,3S)-2-methyl-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 142502174
methyl (1R,5R,7R)-2-methyl-3-[(1S)-1-phenylethyl]-3,6-diazabicyclo[3.2.1]octane-7-carboxylate
CID 177139542
methyl (2S,4S)-4-(2-methoxypropanoyloxy)-1-[(1S)-1-phenylethyl]pyrrolidine-2-carboxylate
CID 10860635
methyl 3-ethyl-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 123702124
methyl (1S,3S,4R)-2-[(1R)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 11780161
methyl (1R,3R,4S)-2-[(1S)-1-phenylethyl]-2-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 11149559
methyl (3S,4R)-4-hydroxy-5-oxo-1-[(1S)-1-phenylethyl]pyrrolidine-3-carboxylate
CID 69172643

Frequently Asked Questions

What is the IUPAC name of methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate (CID 123693997) is methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate is COC(=O)C1CC(O)N(C(C)c2ccccc2)C1.
What is the InChIKey of methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
The InChIKey is XXCPPABOFGFEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12-13,16H,8-9H2,1-2H3.
What are the key properties of methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate?
methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-hydroxy-1-(1-phenylethyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 123693997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).