ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate

C15H21NO2 — CID 62070395

IUPACethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)12(2)16-10-9-14(11-16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyHUTBZBBLRVPYJL-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.43
Rot. Bonds4

About ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate

ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate (PubChem CID 62070395) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
PubChem CID62070395
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 2-(3-phenylpyrrolidin-1-yl)propanoate
SMILESCCOC(=O)C(C)N1CCC(c2ccccc2)C1
InChIInChI=1S/C15H21NO2/c1-3-18-15(17)12(2)16-10-9-14(11-16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3
InChIKeyHUTBZBBLRVPYJL-UHFFFAOYSA-N
XLogP2.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2S)-2-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 52534456
2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 55039477
2-methyl-3-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 79406550
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
2,4-bis(4-phenylpiperidin-1-yl)pentan-3-one
CID 174394805
ethyl 2-(4-benzhydryloxypiperidin-1-yl)propanoate;hydrochloride
CID 70366449
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
(2S)-N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-phenylpyrrolidin-1-yl]propanamide
CID 95308982
4-amino-2-(3-phenylpyrrolidin-1-yl)butanoic acid
CID 64693583
3-(3-phenylpyrrolidin-1-yl)butan-2-ol
CID 62133226
ethyl 4-oxo-4-[(3R)-3-phenylpyrrolidin-1-yl]butanoate
CID 51895095
(2S)-N-naphthalen-1-yl-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100856193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate (CID 62070395) is ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate is CCOC(=O)C(C)N1CCC(c2ccccc2)C1.
What is the InChIKey of ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate?
The InChIKey is HUTBZBBLRVPYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-15(17)12(2)16-10-9-14(11-16)13-7-5-4-6-8-13/h4-8,12,14H,3,9-11H2,1-2H3.
What are the key properties of ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate?
ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate has a molecular weight of 247.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-phenylpyrrolidin-1-yl)propanoate is sourced from PubChem (CID 62070395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).