methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate

C16H23NO3 — CID 115965519

IUPACmethyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCC(C(C)O)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-12(18)14-8-9-17(10-14)11-15(16(19)20-2)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3
InChIKeyYCBHGUMZDCVEDC-UHFFFAOYSA-N
MW277.36 g/mol
LogP1.65
Rot. Bonds5

About methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate

methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate (PubChem CID 115965519) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
PubChem CID115965519
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate
SMILESCOC(=O)C(CN1CCC(C(C)O)C1)c1ccccc1
InChIInChI=1S/C16H23NO3/c1-12(18)14-8-9-17(10-14)11-15(16(19)20-2)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3
InChIKeyYCBHGUMZDCVEDC-UHFFFAOYSA-N
XLogP1.65
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(1-aminoethyl)pyrrolidin-1-yl]-2-phenylpropanoic acid
CID 103976377
methyl 3-[4-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64567065
methyl 3-(3-methoxypiperidin-1-yl)-2-phenylpropanoate
CID 102959585
methyl 3-[3-(aminomethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64559049
methyl 3-[3-(hydroxymethyl)piperidin-1-yl]-2-phenylpropanoate
CID 64564821
(1R)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanol
CID 96766487
3-(3-methylpyrrolidin-1-yl)-2-phenylpropanoic acid
CID 63067114
methyl 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-phenylpropanoate
CID 81452459
N-benzyl-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 112628516
1-[1-(3-amino-2-methyl-3-phenylpropyl)piperidin-4-yl]ethanol
CID 106837864
1-[1-[[2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]phenyl]methyl]pyrrolidin-3-yl]ethanol
CID 110019767
dimethyl (2R)-2-[(3R)-1-benzylpyrrolidin-3-yl]-3-methylbutanedioate
CID 166986160

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate?
The IUPAC name of methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate (CID 115965519) is methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate is COC(=O)C(CN1CCC(C(C)O)C1)c1ccccc1.
What is the InChIKey of methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate?
The InChIKey is YCBHGUMZDCVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-12(18)14-8-9-17(10-14)11-15(16(19)20-2)13-6-4-3-5-7-13/h3-7,12,14-15,18H,8-11H2,1-2H3.
What are the key properties of methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate?
methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate has a molecular weight of 277.36 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-phenylpropanoate is sourced from PubChem (CID 115965519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).